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CAS 19608-29-8 Clascoterone molecular structure lightbox
CAS RN: 19608-29-8

Clascoterone

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250730 100mg In stock Shanghai, Chengdu Inquiry
Batchno.20260627 1g In stock Shanghai, Shenzhen, Tianjin, Chengdu Inquiry
Batchno.20260201 250mg In stock Shanghai, Shenzhen, Tianjin, Chengdu Inquiry
  • Product code: starshine_CAS19608-29-8
  • Purity/Analytical Methods: >99.0%
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19608-29-8 / [(8R,9S,10R,13S,14S,17R)-17-(2-hydroxyacetyl)-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] propanoate

Standard CAS: 19608-29-8 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
19608-29-8
Multi CAS
No
Molecular Formula
C24H34O5
Molecular Weight
402.500000
Exact Mass
402.240624
SMILES
CCC(=O)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C)C(=O)CO
InChI
InChI=1S/C24H34O5/c1-4-21(28)29-24(20(27)14-25)12-9-19-17-6-5-15-13-16(26)7-10-22(15,2)18(17)8-11-23(19,24)3/h13,17-19,25H,4-12,14H2,1-3H3/t17-,18+,19+,22+,23+,24+/m1/s1
InChIKey
GPNHMOZDMYNCPO-PDUMRIMRSA-N

Computed Properties

Structural Parameters

Heavy atom count
29
Fraction Csp3
0.79
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
1
Molar refractivity
107.92
TPSA
80.67

LogP / Solubility

WLOGP
3.77
MLOGP
3.34
XLogP3
3.9
Consensus LogP
3.67
Log S (ESOL)
-4.45
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.58
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.89
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
Yes
Log Kp (skin permeation)
-2.5

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Health Hazard
Signal
Warning
GHS Hazard Statements
H341 (66.7%): Suspected of causing genetic defects [Warning Germ cell mutagenicity] H361fd (33.3%): Suspected of damaging fertility; Suspected of damaging the unborn child [Warning Reproductive toxicity]
Precautionary Statement Codes
P203, P280, P318, P405, and P501

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