![CAS 1305334-31-9 (16α)-21-Chloro-17-[(2-furanylcarbonyl)oxy]-16-Methyl-pregna-1,4-diene-3,11,20-trione molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1305334-31-9.gif)
CAS RN: 1305334-31-9
(16α)-21-Chloro-17-[(2-furanylcarbonyl)oxy]-16-Methyl-pregna-1,4-diene-3,11,20-trione
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.20250426 | 5mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1305334-31-9
- Purity/Analytical Methods: >99.0%
1305334-31-9 / [(8S,9S,10R,13S,14S,16R,17R)-17-(2-chloroacetyl)-10,13,16-trimethyl-3,11-dioxo-6,7,8,9,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] furan-2-carboxylate
Basic Information
CAS
1305334-31-9
Multi CAS
No
Molecular Formula
C27H29ClO6
Molecular Weight
485.000000
Exact Mass
484.165266
SMILES
C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@H]3C(=O)C[C@@]2([C@]1(C(=O)CCl)OC(=O)C5=CC=CO5)C)C
InChI
InChI=1S/C27H29ClO6/c1-15-11-19-18-7-6-16-12-17(29)8-9-25(16,2)23(18)20(30)13-26(19,3)27(15,22(31)14-28)34-24(32)21-5-4-10-33-21/h4-5,8-10,12,15,18-19,23H,6-7,11,13-14H2,1-3H3/t15-,18+,19+,23-,25+,26+,27+/m1/s1
InChIKey
UDJQOKVZFMMKGS-HAZRNBFISA-N
Computed Properties
Structural Parameters
Heavy atom count
34
Aromatic heavy atom count
5
Fraction Csp3
0.56
Rotatable bonds
4
H-bond acceptors
6
Molar refractivity
124.13
TPSA
90.65
LogP / Solubility
WLOGP
4.72
MLOGP
4.18
XLogP3
3.9
Consensus LogP
4.27
Log S (ESOL)
-5.66
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.94
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.21
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)
-2.33
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
7
Customers Also Viewed
-
9H-Fluorene-9,9-dihexanamine, N,N,N’,N’-tetraethyl-2,7-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
- CAS RN: 1305335-06-1
- Product Code: starshine_CAS1305335-06-1
- Purity/Analytical method: >99.0%
-
(1S)-1-(2,4-DIMETHYLPHENYL)ETHAN-1-AMINE HYDROCHLORIDE
- CAS RN: 1305710-73-9
- Product Code: starshine_CAS1305710-73-9
- Purity/Analytical method: >99.0%
-
-
-
1-(3-chloro-2-fluorophenyl)-N-methylmethanamine
- CAS RN: 1305711-90-3
- Product Code: SSC-037195
-
4,4,7-triMethyl-1,2,3,4-tetrahydroisoquinoline hydrochloride
- CAS RN: 1305711-91-4
- Product Code: SSC-037196
![CAS 1305711-40-3 Methyl benzo[d]oxazole-6-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1305711-40-3.gif)
