CAS RN: 630-56-8
17α-Hydroxyprogesterone Caproate
Product Availability
Choose a grade to view its available package options.
8 package records8 with current stock3 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251122 | 1ml | In stock | Inquiry |
- Product code: ICTH0994
- Purity/Analytical Methods: >98.0%(HPLC)
630-56-8 / (17-acetyl-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl) hexanoate
Basic Information
CAS
630-56-8
Multi CAS
Yes
Molecular Formula
C27H40O4
Molecular Weight
428.600000
Exact Mass
428.292660
InChI
InChI=1S/C27H40O4/c1-5-6-7-8-24(30)31-27(18(2)28)16-13-23-21-10-9-19-17-20(29)11-14-25(19,3)22(21)12-15-26(23,27)4/h17,21-23H,5-16H2,1-4H3
InChIKey
DOMWKUIIPQCAJU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
31
Fraction Csp3
0.81
Rotatable bonds
6
H-bond acceptors
4
Molar refractivity
120.36
TPSA
60.44
LogP / Solubility
WLOGP
5.97
MLOGP
5.28
XLogP3
5.7
Consensus LogP
5.65
Log S (ESOL)
-5.86
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.38
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.12
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
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)
-1.1
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
6
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