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CAS 855-19-6 Clostebol Acetate molecular structure lightbox
CAS RN: 855-19-6

Clostebol Acetate

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4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20251204 100mg In stock Inquiry
Batchno.20250919 1g Out of stock Inquiry
Batchno.20250215 250mg In stock Inquiry
Batchno.20260530 25mg In stock Inquiry
  • Product code: ICTC3497
  • Purity/Analytical Methods: >98.0%(T)(HPLC)
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855-19-6 / [(8R,9S,10R,13S,14S,17S)-4-chloro-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] acetate

Standard CAS: 855-19-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
855-19-6
Multi CAS
Yes
Molecular Formula
C21H29CLO3
Molecular Weight
364.900000
Exact Mass
364.180523
InChI
InChI=1S/C21H29ClO3/c1-12(23)25-18-7-6-14-13-4-5-16-19(22)17(24)9-11-20(16,2)15(13)8-10-21(14,18)3/h13-15,18H,4-11H2,1-3H3/t13-,14-,15-,18-,20+,21-/m0/s1
InChIKey
XYGMEFJSKQEBTO-KUJXMBTLSA-N

Computed Properties

Structural Parameters

Heavy atom count
25
Fraction Csp3
0.81
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
97.06
TPSA
43.37

LogP / Solubility

WLOGP
5.02
MLOGP
4.43
XLogP3
4.7
Consensus LogP
4.72
Log S (ESOL)
-5.2
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.17
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.32
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)
-1.38

Drug-likeness / Medicinal Chemistry

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

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