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[ CAS No. 869116-29-0 ] Methyl 5-amino-1H-pyrrole-2-carboxylate

Cat. No.: A845547
HazMat Fee +

There will be a HazMat fee per item when shipping a dangerous goods. The HazMat fee will be charged to your UPS/DHL/FedEx collect account or added to the invoice unless the package is shipped via Ground service. Ship by air in Excepted Quantity (each bottle), which is up to 1g/1mL for class 6.1 packing group I or II, and up to 25g/25ml for all other HazMat items.

Type HazMat fee for 500 gram (Estimated)
Excepted Quantity USD 0.00
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+
Chemical Structure| 869116-29-0
Chemical Structure| 869116-29-0
Structure of 869116-29-0 * Storage: Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
Purity Size Price USA Stock *0-1 Day Global Stock *5-7 Days Quantity
97% 100mg $93.00 Inquiry Inquiry
97% 250mg $159.00 Inquiry Inquiry
97% 1g $412.00 Inquiry Inquiry
97% 5g $1059.00 Inquiry Inquiry

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* Storage: Keep in dark place,Inert atmosphere,Store in freezer, under -20°C

* Shipping: shipped in cold pack

Quality Control of [ 869116-29-0 ]

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Alternatived Products of [ 869116-29-0 ]
Product Citations

Product Details of [ 869116-29-0 ]

CAS No. :869116-29-0 MDL No. :MFCD12964609
Formula : C6H8N2O2 Boiling Point : -
Linear Structure Formula :- InChI Key :FOMMUHAHRMAFSW-UHFFFAOYSA-N
M.W : 140.14 Pubchem ID :55283929
Synonyms :

Calculated chemistry of [ 869116-29-0 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 10
Num. arom. heavy atoms : 5
Fraction Csp3 : 0.17
Num. rotatable bonds : 2
Num. H-bond acceptors : 2.0
Num. H-bond donors : 2.0
Molar Refractivity : 36.48
TPSA : 68.11 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : No
P-gp substrate : No
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -6.76 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.23
Log Po/w (XLOGP3) : 0.55
Log Po/w (WLOGP) : 0.39
Log Po/w (MLOGP) : -0.16
Log Po/w (SILICOS-IT) : 0.53
Consensus Log Po/w : 0.51

Druglikeness

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

Water Solubility

Log S (ESOL) : -1.29
Solubility : 7.13 mg/ml ; 0.0509 mol/l
Class : Very soluble
Log S (Ali) : -1.55
Solubility : 3.93 mg/ml ; 0.028 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -1.3
Solubility : 7.06 mg/ml ; 0.0504 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.66

Safety of [ 869116-29-0 ]

Signal Word:Danger Class:8
Precautionary Statements:P280-P305+P351+P338-P310 UN#:3259
Hazard Statements:H314 Packing Group:
GHS Pictogram:

Application In Synthesis of [ 869116-29-0 ]

* 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.

  • Downstream synthetic route of [ 869116-29-0 ]
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