Home Cart 0 Sign in  

[ CAS No. 7675-83-4 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
Chemical Structure| 7675-83-4
Chemical Structure| 7675-83-4
Structure of 7675-83-4 * Storage: {[proInfo.prStorage]}
Cart0 Add to My Favorites Add to My Favorites Bulk Inquiry Inquiry Add To Cart

Quality Control of [ 7675-83-4 ]

Related Doc. of [ 7675-83-4 ]

Alternatived Products of [ 7675-83-4 ]

Product Details of [ 7675-83-4 ]

CAS No. :7675-83-4 MDL No. :MFCD00058334
Formula : C10H21N5O6 Boiling Point : -
Linear Structure Formula :- InChI Key :SUUWYOYAXFUOLX-ZBRNBAAYSA-N
M.W : 307.30 Pubchem ID :11500504
Synonyms :

Calculated chemistry of [ 7675-83-4 ]

Physicochemical Properties

Num. heavy atoms : 21
Num. arom. heavy atoms : 0
Fraction Csp3 : 0.6
Num. rotatable bonds : 9
Num. H-bond acceptors : 9.0
Num. H-bond donors : 8.0
Molar Refractivity : 72.13
TPSA : 225.84 Ų

Pharmacokinetics

GI absorption : Low
BBB permeant : No
P-gp substrate : Yes
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -13.9 cm/s

Lipophilicity

Log Po/w (iLOGP) : -0.22
Log Po/w (XLOGP3) : -8.07
Log Po/w (WLOGP) : -2.47
Log Po/w (MLOGP) : -6.57
Log Po/w (SILICOS-IT) : -1.61
Consensus Log Po/w : -3.79

Druglikeness

Lipinski : 2.0
Ghose : None
Veber : 1.0
Egan : 1.0
Muegge : 3.0
Bioavailability Score : 0.17

Water Solubility

Log S (ESOL) : 3.93
Solubility : 2630000.0 mg/ml ; 8570.0 mol/l
Class : Highly soluble
Log S (Ali) : 4.08
Solubility : 3700000.0 mg/ml ; 12000.0 mol/l
Class : Highly soluble
Log S (SILICOS-IT) : 0.06
Solubility : 353.0 mg/ml ; 1.15 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 2.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 3.22

Safety of [ 7675-83-4 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P305+P351+P338 UN#:N/A
Hazard Statements:H315-H319-H335 Packing Group:N/A
GHS Pictogram:
Same Skeleton Products
Historical Records

Related Functional Groups of
[ 7675-83-4 ]

Amino Acid Derivatives

Chemical Structure| 157-06-2

[ 157-06-2 ]

(R)-2-Amino-5-guanidinopentanoic acid

Similarity: 0.95

Chemical Structure| 156-86-5

[ 156-86-5 ]

H-HoArg-OH

Similarity: 0.95

Chemical Structure| 74-79-3

[ 74-79-3 ]

(S)-2-Amino-5-guanidinopentanoic acid

Similarity: 0.95

Chemical Structure| 7200-25-1

[ 7200-25-1 ]

DL-Arginine

Similarity: 0.95

Chemical Structure| 1483-01-8

[ 1483-01-8 ]

H-HomoArg-OH.HCl

Similarity: 0.93