CAS RN: 80474-67-5
5-Iodomethyl 6a,9a-Difluoro-11-hydroxy-16a-methyl-3-oxo-17a-(propionyloxy)-androsta-1,4-diene-17-carbothioate
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251104 | 10mg | In stock | Shanghai, Shandong | Inquiry |
- Product code: starshine_CAS80474-67-5
- Purity/Analytical Methods: >99.0%
80474-67-5 / [6,9-difluoro-11-hydroxy-17-(iodomethylsulfanylcarbonyl)-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] propanoate
Basic Information
CAS
80474-67-5
Multi CAS
Yes
Molecular Formula
C25F2H31IO5S
Molecular Weight
608.500000
Exact Mass
608.090500
InChI
InChI=1S/C25H31F2IO5S/c1-5-20(31)33-25(21(32)34-12-28)13(2)8-15-16-10-18(26)17-9-14(29)6-7-22(17,3)24(16,27)19(30)11-23(15,25)4/h6-7,9,13,15-16,18-19,30H,5,8,10-12H2,1-4H3
InChIKey
HKRIRGIBBWVEFV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
34
Fraction Csp3
0.72
Rotatable bonds
4
H-bond acceptors
6
H-bond donors
1
Molar refractivity
133.78
TPSA
80.67
LogP / Solubility
WLOGP
4.9
MLOGP
4.36
XLogP3
4.3
Consensus LogP
4.52
Log S (ESOL)
-6.43
Class (ESOL)
Insoluble
Log S (Ali)
-8.08
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.16
Class (SILICOS-IT)
Insoluble
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)
-2.96
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
7.5
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