[ CAS No. 132705-51-2 ] {[proInfo.proName]}

Name: 132705-51-2|Bromotri(pyrrolidin-1-yl)phosphonium hexafluorophosphate(V)|98%
Brand: Ambeed
SKU: A173610
Rating: 91 (26 reviews)

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Cat. No.: {[proInfo.prAm]}

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Limited Quantity	USD 15-60
Inaccessible (Haz class 6.1), Domestic	USD 80+
Inaccessible (Haz class 6.1), International	USD 150+
Accessible (Haz class 3, 4, 5 or 8), Domestic	USD 100+
Accessible (Haz class 3, 4, 5 or 8), International	USD 200+

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Structure of 132705-51-2 * Storage: {[proInfo.prStorage]}

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Quality Control of [ 132705-51-2 ]

COA NMR CNMR HPLC LC-MS

Related Doc. of [ 132705-51-2 ]

SDS Specification

Alternatived Products of [ 132705-51-2 ]

Product Details of [ 132705-51-2 ]

CAS No. :	132705-51-2	MDL No. :	MFCD00077412
Formula :	C₁₂H₂₄BrF₆N₃P₂	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	CYKRMWNZYOIJCH-UHFFFAOYSA-N
M.W :	466.18	Pubchem ID :	2733179
Synonyms :

Calculated chemistry of [ 132705-51-2 ]

Physicochemical Properties

Num. heavy atoms :	24
Num. arom. heavy atoms :	0
Fraction Csp3 :	1.0
Num. rotatable bonds :	3
Num. H-bond acceptors :	9.0
Num. H-bond donors :	0.0
Molar Refractivity :	104.36
TPSA :	36.9 Å²

Pharmacokinetics

GI absorption :	Low
BBB permeant :	No
P-gp substrate :	Yes
CYP1A2 inhibitor :	No
CYP2C19 inhibitor :	Yes
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	Yes
Log Kp (skin permeation) :	-4.59 cm/s

Lipophilicity

Log Po/w (iLOGP) :	0.0
Log Po/w (XLOGP3) :	6.41
Log Po/w (WLOGP) :	8.11
Log Po/w (MLOGP) :	3.19
Log Po/w (SILICOS-IT) :	1.19
Consensus Log Po/w :	3.78

Druglikeness

Lipinski :	0.0
Ghose :	None
Veber :	0.0
Egan :	1.0
Muegge :	1.0
Bioavailability Score :	0.55

Water Solubility

Log S (ESOL) :	-6.57
Solubility :	0.000125 mg/ml ; 0.000000269 mol/l
Class :	Poorly soluble
Log S (Ali) :	-6.98
Solubility :	0.0000491 mg/ml ; 0.000000105 mol/l
Class :	Poorly soluble
Log S (SILICOS-IT) :	-2.16
Solubility :	3.22 mg/ml ; 0.0069 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	1.0 alert
Leadlikeness :	2.0
Synthetic accessibility :	3.99

Safety of [ 132705-51-2 ]

Signal Word:	Danger	Class:	9
Precautionary Statements:	P280-P305+P351+P338+P310	UN#:	3077
Hazard Statements:	H318-H410	Packing Group:	Ⅲ
GHS Pictogram:

Application In Synthesis of [ 132705-51-2 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

Upstream synthesis route of [ 132705-51-2 ]
Downstream synthetic route of [ 132705-51-2 ]

[ 132705-51-2 ] Synthesis Path-Upstream 1~4

1
[ 918871-51-9 ]
[ 554-95-0 ]
[ 132705-51-2 ]
[ 6415-07-2 ]

Reference： [1] European Journal of Organic Chemistry, 2015, vol. 2015, # 17, p. 3689 - 3701

2
[ 128625-52-5 ]
[ 2592-95-2 ]
[ 94790-37-1 ]
[ 143824-78-6 ]
[ 132705-51-2 ]

Reference： [1] Patent: US2004/13728, 2004, A1,

3
[ 128625-52-5 ]
[ 132705-51-2 ]

Reference： [1] Journal of Organic Chemistry, 1994, vol. 59, # 9, p. 2437 - 2446

4
[ 6415-07-2 ]
[ 132705-51-2 ]

Reference： [1] Journal of Organic Chemistry, 1994, vol. 59, # 9, p. 2437 - 2446

[ 132705-51-2 ] Synthesis Path-Downstream 1~63

1
[ 6415-07-2 ]
[ 132705-51-2 ]

Reference： [1]Journal of Organic Chemistry,1994,vol. 59,p. 2437 - 2446

2
[ 26198-21-0 ]
[ 132705-51-2 ]
<<(6-Trifluoromethyl)benzotriazol-1-yl>oxy>tris(pyrrolidino)phosphonium hexafluorophosphate [ No CAS ]

Reference： [1]Recueil des Travaux Chimiques des Pays-Bas,1994,vol. 113,p. 394 - 397

3
[ 132705-51-2 ]
1-hydroxy-4-nitro-6-(trifluoromethyl)benzotriazole triethylammonium salt [ No CAS ]
<4-nitro-6-(trifluoromethyl)benzotriazol-1-yloxy>tris(pyrrolidino)phosphonium hexafluorophosphate [ No CAS ]

Reference： [1]Tetrahedron Letters,1995,vol. 36,p. 4643 - 4646

4
[ 39968-33-7 ]
[ 132705-51-2 ]
((3H-[1,2,3]triazolo[4,5-b]pyridin-3-yl)oxy)tri(pyrrolidin-1-yl)phosphonium hexafluorophosphate(V) [ No CAS ]

Reference： [1]Synthesis,1996,p. 383 - 387

5
[ 132705-51-2 ]
C₁₂H₂₄FN₃P⁽¹⁺⁾*F₆P^(1-) [ No CAS ]

Reference： [1]Organic letters,2003,vol. 5,p. 975 - 977

6
[ 61472-23-9 ]
iPrEtN [ No CAS ]
[ 50921-39-6 ]
[ 132705-51-2 ]
[1-(4-Chloro-phenyl)-cyclobutyl]-(3-hydroxymethyl-azepan-1-yl)-methanone [ No CAS ]