NCIOpen2_008092
TL;DR: NCIOpen2_008092 (CAS 5039-32-7) is a chemical compound with molecular formula C21H26O3 and molecular weight 326.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
17-acetyl-10,13-dimethyl-7,8,9,12,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthrene-3,11-dione
Also Known As: NCIOpen2_008092, Pregna-1,4-diene-3,11,2-trione, Pregna-1,4-diene-3,11,20-trione, 17-acetyl-10,13-dimethyl-7,8,9,12,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthrene-3,11-dione
| Molecular Formula | C21H26O3 |
|---|---|
| Molecular Weight | 326.19 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 51.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 326.1882 |
| Heavy Atoms | 24 |
| Complexity | 700.0 |
Chemical Identifiers
| CAS Number | 5039-32-7 |
|---|---|
| SMILES | CC(=O)C1CCC2C1(CC(=O)C3C2CCC4=CC(=O)C=CC34C)C |
| InChIKey | YZZVVLUNOZJXCM-UHFFFAOYSA-N |
Product Overview
NCIOpen2_008092 (CAS 5039-32-7), with molecular formula C21H26O3 and molecular weight 326.19 g/mol. IUPAC: 17-acetyl-10,13-dimethyl-7,8,9,12,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthrene-3,11-dione.
Chemical Property Profile of NCIOpen2_008092
Property Insights of NCIOpen2_008092
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for NCIOpen2_008092. With a topological polar surface area (TPSA) of 51.2 Ų, NCIOpen2_008092 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, NCIOpen2_008092 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 NCIOpen2_008092?
The CAS number of NCIOpen2_008092 is 5039-32-7.
What is the molecular formula of NCIOpen2_008092?
The molecular formula of NCIOpen2_008092 is C21H26O3.
What is the molecular weight of NCIOpen2_008092?
The molecular weight of NCIOpen2_008092 is 326.19 g/mol.
Where can I buy NCIOpen2_008092?
You can request a quote for NCIOpen2_008092 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NCIOpen2_008092?
Yes, KEHONG BIO provides custom synthesis services for NCIOpen2_008092 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.