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/C17H28/c1-2-6-14-12(4-1)8-10-17-15-7-3-5-13(15)9-11-16(14)17/h12-17H,1-11H2
InChIKey
UACIBCPNAKBWHX-UHFFFAOYSA-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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