CAS RN: 1356154-92-1
17α-Hydroxyprogesterone-2,3,4-13C3 solution
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250429 | 1mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1356154-92-1
- Purity/Analytical Methods: >99.0%
1356154-92-1 / (8R,9S,10R,13S,14S,17R)-17-acetyl-17-hydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
Basic Information
CAS
1356154-92-1
Multi CAS
No
Molecular Formula
C21H30O3
Molecular Weight
333.400000
Exact Mass
333.229559
SMILES
CC(=O)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=[13CH][13C](=O)[13CH2]C[C@]34C)C)O
InChI
InChI=1S/C21H30O3/c1-13(22)21(24)11-8-18-16-5-4-14-12-15(23)6-9-19(14,2)17(16)7-10-20(18,21)3/h12,16-18,24H,4-11H2,1-3H3/t16-,17+,18+,19+,20+,21+/m1/s1/i6+1,12+1,15+1
InChIKey
DBPWSSGDRRHUNT-GGSYSODVSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Fraction Csp3
0.81
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
92.34
TPSA
54.37
LogP / Solubility
WLOGP
3.84
MLOGP
3.39
XLogP3
3.2
Consensus LogP
3.48
Log S (ESOL)
-4.24
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.04
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.11
Class (SILICOS-IT)
Slightly soluble
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
No
Log Kp (skin permeation)
-2.01
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
Environmental Hazard
Signal
Danger
GHS Hazard Statements
H360FD (100%): May damage fertility; May damage the unborn child [Danger Reproductive toxicity]
H411 (100%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P203, P273, P280, P318, P391, P405, and P501
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