17-Acetyl-10,13-dimethyl-tetradecahydro-cyclopenta(A)phenanthrene-3,11-dione
TL;DR: 17-Acetyl-10,13-dimethyl-tetradecahydro-cyclopenta(A)phenanthrene-3,11-dione (CAS 2089-06-7) is a chemical compound with molecular formula C21H30O3 and molecular weight 330.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
17-acetyl-10,13-dimethyl-2,4,5,6,7,8,9,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,11-dione
Also Known As: Allopregnanetrione, 5-beta-Pregnane-3,11,20-trione, 5.beta.-Pregnane-3,11,20-trione, 5-ALPHA-PREGNANE-3,11,20-TRIONE, Pregnane-3,11,20-trione, (5.beta.)-
| Molecular Formula | C21H30O3 |
|---|---|
| Molecular Weight | 330.22 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 51.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 330.21948 |
| Heavy Atoms | 24 |
| Complexity | 608.0 |
Chemical Identifiers
| CAS Number | 2089-06-7 |
|---|---|
| SMILES | CC(=O)C1CCC2C1(CC(=O)C3C2CCC4C3(CCC(=O)C4)C)C |
| InChIKey | AHRWWYGWQKBKBF-UHFFFAOYSA-N |
Product Overview
17-Acetyl-10,13-dimethyl-tetradecahydro-cyclopenta(A)phenanthrene-3,11-dione (CAS 2089-06-7), with molecular formula C21H30O3 and molecular weight 330.22 g/mol. IUPAC: 17-acetyl-10,13-dimethyl-2,4,5,6,7,8,9,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,11-dione.
Chemical Property Profile of 17-Acetyl-10,13-dimethyl-tetradecahydro-cyclopenta(A)phenanthrene-3,11-dione
Property Insights of 17-Acetyl-10,13-dimethyl-tetradecahydro-cyclopenta(A)phenanthrene-3,11-dione
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 17-Acetyl-10,13-dimethyl-tetradecahydro-cyclopenta(A)phenanthrene-3,11-dione. With a topological polar surface area (TPSA) of 51.2 Ų, 17-Acetyl-10,13-dimethyl-tetradecahydro-cyclopenta(A)phenanthrene-3,11-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 17-Acetyl-10,13-dimethyl-tetradecahydro-cyclopenta(A)phenanthrene-3,11-dione has 0 hydrogen bond donor(s) and 3 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 17-Acetyl-10,13-dimethyl-tetradecahydro-cyclopenta(A)phenanthrene-3,11-dione?
The CAS number of 17-Acetyl-10,13-dimethyl-tetradecahydro-cyclopenta(A)phenanthrene-3,11-dione is 2089-06-7.
What is the molecular formula of 17-Acetyl-10,13-dimethyl-tetradecahydro-cyclopenta(A)phenanthrene-3,11-dione?
The molecular formula of 17-Acetyl-10,13-dimethyl-tetradecahydro-cyclopenta(A)phenanthrene-3,11-dione is C21H30O3.
What is the molecular weight of 17-Acetyl-10,13-dimethyl-tetradecahydro-cyclopenta(A)phenanthrene-3,11-dione?
The molecular weight of 17-Acetyl-10,13-dimethyl-tetradecahydro-cyclopenta(A)phenanthrene-3,11-dione is 330.22 g/mol.
Where can I buy 17-Acetyl-10,13-dimethyl-tetradecahydro-cyclopenta(A)phenanthrene-3,11-dione?
You can request a quote for 17-Acetyl-10,13-dimethyl-tetradecahydro-cyclopenta(A)phenanthrene-3,11-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 17-Acetyl-10,13-dimethyl-tetradecahydro-cyclopenta(A)phenanthrene-3,11-dione?
Yes, KEHONG BIO provides custom synthesis services for 17-Acetyl-10,13-dimethyl-tetradecahydro-cyclopenta(A)phenanthrene-3,11-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.