CAS RN: 9002-61-3
Chorionic Gonadotropin
Product Availability
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8 package records7 with current stock3 grade groups
- Product code: starshine_CAS9002-61-3
- Purity/Analytical Methods: >99.0%
9002-61-3 / 2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydro-1H-cyclopenta[a]phenanthrene
Basic Information
CAS
9002-61-3
Multi CAS
Yes
Molecular Formula
C17H28
Molecular Weight
232.400000
Exact Mass
232.219101
InChI
InChI=1S/C11H19N3O6S/c12-6(11(19)20)2-1-3-8(15)14-7(5-21)10(18)13-4-9(16)17/h6-7,21H,1-5,12H2,(H,13,18)(H,14,15)(H,16,17)(H,19,20)/t6-,7-/m0/s1
InChIKey
XFOOPZIJVVDYHI-BQBZGAKWSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Fraction Csp3
1
Molar refractivity
71.73
TPSA
0.0000
LogP / Solubility
WLOGP
5.03
MLOGP
4.43
XLogP3
6.8
Consensus LogP
5.42
Log S (ESOL)
-4.45
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.1
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.34
Class (SILICOS-IT)
Slightly soluble
ADME
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)
-0.57
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
5
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