CTK1C4994
TL;DR: CTK1C4994 (CAS 31056-07-2) is a chemical compound with molecular formula C21H26O4 and molecular weight 342.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(8S,9S,10R,13S,14S)-10,13-dimethyl-3,11-dioxo-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-ylidene]acetic acid
Also Known As: Pregna-4,17(20)-dien-21-oicacid, 3,11-dioxo-, (17Z)-
| Molecular Formula | C21H26O4 |
|---|---|
| Molecular Weight | 342.18 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 71.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 342.1831 |
| Heavy Atoms | 25 |
| Complexity | 730.0 |
Chemical Identifiers
| CAS Number | 31056-07-2 |
|---|---|
| SMILES | C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2C(=O)C[C@]4([C@H]3CCC4=CC(=O)O)C |
| InChIKey | BXYNPSUFUJLXBQ-ZNRKGROKSA-N |
Product Overview
CTK1C4994 (CAS 31056-07-2), with molecular formula C21H26O4 and molecular weight 342.18 g/mol. IUPAC: 2-[(8S,9S,10R,13S,14S)-10,13-dimethyl-3,11-dioxo-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-ylidene]acetic acid.
Chemical Property Profile of CTK1C4994
Property Insights of CTK1C4994
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CTK1C4994. The TPSA of 71.4 Ų falls within the moderate polarity range, balancing permeability and solubility for CTK1C4994. Following Lipinski's Rule of Five, CTK1C4994 has 1 hydrogen bond donor(s) and 4 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 CTK1C4994?
The CAS number of CTK1C4994 is 31056-07-2.
What is the molecular formula of CTK1C4994?
The molecular formula of CTK1C4994 is C21H26O4.
What is the molecular weight of CTK1C4994?
The molecular weight of CTK1C4994 is 342.18 g/mol.
Where can I buy CTK1C4994?
You can request a quote for CTK1C4994 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CTK1C4994?
Yes, KEHONG BIO provides custom synthesis services for CTK1C4994 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.