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CAS 1865-56-1 “(10R,13S)-17-chloro-16-forMyl-10,13-diMethyl-2,3,4,7,8,9,10,11,12,13,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl acetate” molecular structure lightbox
CAS RN: 1865-56-1

“(10R,13S)-17-chloro-16-forMyl-10,13-diMethyl-2,3,4,7,8,9,10,11,12,13,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl acetate”

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250823 25g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS1865-56-1
  • Purity/Analytical Methods: >99.0%
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1865-56-1 / [(3S,10R,13S)-17-chloro-16-formyl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate

Standard CAS: 1865-56-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1865-56-1
Multi CAS
No
Molecular Formula
C22H29ClO3
Molecular Weight
376.900000
Exact Mass
376.180523
SMILES
CC(=O)O[C@H]1CC[C@@]2(C3CC[C@]4(C(C3CC=C2C1)CC(=C4Cl)C=O)C)C
InChI
InChI=1S/C22H29ClO3/c1-13(25)26-16-6-8-21(2)15(11-16)4-5-17-18(21)7-9-22(3)19(17)10-14(12-24)20(22)23/h4,12,16-19H,5-11H2,1-3H3/t16-,17?,18?,19?,21-,22-/m0/s1
InChIKey
UCTLHLZWKJIXJI-XJBINJAOSA-N

Computed Properties

Structural Parameters

Heavy atom count
26
Fraction Csp3
0.73
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
101.58
TPSA
43.37

LogP / Solubility

WLOGP
5.18
MLOGP
4.58
XLogP3
4.4
Consensus LogP
4.72
Log S (ESOL)
-5.31
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.39
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.65
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.34

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
6

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