CAS RN: 1356190-17-4
(11β)-21-Chloro-9-fluoro-11-hydroxy-16-Methylpregna-1,4,16-triene-3,20-dione
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.20250927 | 5mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1356190-17-4
- Purity/Analytical Methods: >99.0%
1356190-17-4 / (8S,9R,10S,11S,13S,14S)-17-(2-chloroacetyl)-9-fluoro-11-hydroxy-10,13,16-trimethyl-7,8,11,12,14,15-hexahydro-6H-cyclopenta[a]phenanthren-3-one
Basic Information
CAS
1356190-17-4
Multi CAS
No
Molecular Formula
C22H26ClFO3
Molecular Weight
392.900000
Exact Mass
392.155451
SMILES
CC1=C([C@]2(C[C@@H]([C@]3([C@H]([C@@H]2C1)CCC4=CC(=O)C=C[C@@]43C)F)O)C)C(=O)CCl
InChI
InChI=1S/C22H26ClFO3/c1-12-8-16-15-5-4-13-9-14(25)6-7-21(13,3)22(15,24)18(27)10-20(16,2)19(12)17(26)11-23/h6-7,9,15-16,18,27H,4-5,8,10-11H2,1-3H3/t15-,16-,18-,20-,21-,22-/m0/s1
InChIKey
YWRGNRUKHBYFTD-QEYSUVLUSA-N
Computed Properties
Structural Parameters
Heavy atom count
27
Fraction Csp3
0.64
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
102.16
TPSA
54.37
LogP / Solubility
WLOGP
4.09
MLOGP
3.62
XLogP3
3.1
Consensus LogP
3.6
Log S (ESOL)
-4.72
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.74
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.85
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
Yes
Log Kp (skin permeation)
-2.21
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
6
Safety & Transport
Pictogram(s)
Health Hazard
Signal
Danger
GHS Hazard Statements
H360 (100%): May damage fertility or the unborn child [Danger Reproductive toxicity]
H373 (100%): May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure]
H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P203, P260, P273, P280, P318, P319, P405, and P501
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