CAS RN: 932388-90-4

7-ChloroMethyl Drospirenone

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Batchno.20250424 10mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS932388-90-4
  • Purity/Analytical Methods: >99.0%
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932388-90-4 / 18'-(chloromethyl)-7',11'-dimethylspiro[oxolane-5,6'-pentacyclo[8.8.0.02,7.03,5.011,16]octadec-15-ene]-2,14'-dione

Standard CAS: 932388-90-4 Multi CAS: Yes

Basic Information

CAS
932388-90-4
Multi CAS
Yes
Molecular Formula
C24H31CLO3
Molecular Weight
403.000000
Exact Mass
402.196173
InChI
InChI=1S/C24H31ClO3/c1-22-6-3-15(26)10-14(22)9-13(12-25)20-17(22)4-7-23(2)21(20)16-11-18(16)24(23)8-5-19(27)28-24/h10,13,16-18,20-21H,3-9,11-12H2,1-2H3/t13-,16-,17+,18+,20-,21+,22+,23+,24+/m1/s1
InChIKey
YGBFZJNESAZJNB-MQSRJSRPSA-N

Computed Properties

Structural Parameters

Heavy atom count
28
Fraction Csp3
0.83
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
106.72
TPSA
43.37

LogP / Solubility

WLOGP
4.91
MLOGP
4.35
XLogP3
4
Consensus LogP
4.42
Log S (ESOL)
-5.37
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.41
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.48
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)
-1.69

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
9.5

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