Pregn-4-ene-3,20-dione, 21-(acetyloxy)-17-hydroxy-6-methyl-, (6alpha)-
TL;DR: Pregn-4-ene-3,20-dione, 21-(acetyloxy)-17-hydroxy-6-methyl-, (6alpha)- (CAS 6970-06-5) is a chemical compound with molecular formula C24H34O5 and molecular weight 402.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[(6S,8R,9S,10R,13S,14S,17R)-17-hydroxy-6,10,13-trimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate
Also Known As: NONAETHYLENE GLYCOL, Pregn-4-ene-3,20-dione, 21-(acetyloxy)-17-hydroxy-6-methyl-, (6alpha)-, 17-Hydroxy-6-methyl-3,20-dioxopregn-4-en-21-yl acetate, [2-[(6S,8R,9S,10R,13S,14S,17R)-17-hydroxy-6,10,13-trimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate, 17-Hydroxy-6alpha-methyl-3,20-dioxopregn-4-en-21-yl acetate
| Molecular Formula | C24H34O5 |
|---|---|
| Molecular Weight | 402.24 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 80.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 402.24063 |
| Heavy Atoms | 29 |
| Complexity | 784.0 |
Chemical Identifiers
| CAS Number | 6970-06-5 |
|---|---|
| SMILES | C[C@H]1C[C@@H]2[C@H](CC[C@]3([C@H]2CC[C@@]3(C(=O)COC(=O)C)O)C)[C@@]4(C1=CC(=O)CC4)C |
| InChIKey | NTEWNLYJODFHQS-USTFCYDESA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Pregn-4-ene-3,20-dione, 21-(acetyloxy)-17-hydroxy-6-methyl-, (6alpha)- (CAS 6970-06-5), with molecular formula C24H34O5 and molecular weight 402.24 g/mol. IUPAC: [2-[(6S,8R,9S,10R,13S,14S,17R)-17-hydroxy-6,10,13-trimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate.
Chemical Property Profile of Pregn-4-ene-3,20-dione, 21-(acetyloxy)-17-hydroxy-6-methyl-, (6alpha)-
Property Insights of Pregn-4-ene-3,20-dione, 21-(acetyloxy)-17-hydroxy-6-methyl-, (6alpha)-
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pregn-4-ene-3,20-dione, 21-(acetyloxy)-17-hydroxy-6-methyl-, (6alpha)-. The TPSA of 80.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Pregn-4-ene-3,20-dione, 21-(acetyloxy)-17-hydroxy-6-methyl-, (6alpha)-. Following Lipinski's Rule of Five, Pregn-4-ene-3,20-dione, 21-(acetyloxy)-17-hydroxy-6-methyl-, (6alpha)- has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Pregn-4-ene-3,20-dione, 21-(acetyloxy)-17-hydroxy-6-methyl-, (6alpha)-?
The CAS number of Pregn-4-ene-3,20-dione, 21-(acetyloxy)-17-hydroxy-6-methyl-, (6alpha)- is 6970-06-5.
What is the molecular formula of Pregn-4-ene-3,20-dione, 21-(acetyloxy)-17-hydroxy-6-methyl-, (6alpha)-?
The molecular formula of Pregn-4-ene-3,20-dione, 21-(acetyloxy)-17-hydroxy-6-methyl-, (6alpha)- is C24H34O5.
What is the molecular weight of Pregn-4-ene-3,20-dione, 21-(acetyloxy)-17-hydroxy-6-methyl-, (6alpha)-?
The molecular weight of Pregn-4-ene-3,20-dione, 21-(acetyloxy)-17-hydroxy-6-methyl-, (6alpha)- is 402.24 g/mol.
Where can I buy Pregn-4-ene-3,20-dione, 21-(acetyloxy)-17-hydroxy-6-methyl-, (6alpha)-?
You can request a quote for Pregn-4-ene-3,20-dione, 21-(acetyloxy)-17-hydroxy-6-methyl-, (6alpha)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pregn-4-ene-3,20-dione, 21-(acetyloxy)-17-hydroxy-6-methyl-, (6alpha)-?
Yes, KEHONG BIO provides custom synthesis services for Pregn-4-ene-3,20-dione, 21-(acetyloxy)-17-hydroxy-6-methyl-, (6alpha)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.