18-脱氧醛固酮
TL;DR: 18-脱氧醛固酮 (CAS 2956-40-3) is a chemical compound with molecular formula C21H28O4 and molecular weight 344.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
18-脱氧醛固酮
(2S,5S,6S,14R,15S,16S)-2-(2-hydroxyacetyl)-14-methyl-17-oxapentacyclo[14.2.1.01,5.06,15.09,14]nonadec-9-en-11-one
Also Known As: 18-Deoxyaldosterone, KST-1A3542, 21-hydroxy-11 beta,18-oxido-4-pregnene-3,20-dione, 21-Hydroxy-11beta,18-oxido-4-pregnene-3,20-dione, (11
| Molecular Formula | C21H28O4 |
|---|---|
| Molecular Weight | 344.20 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 344.19876 |
| Heavy Atoms | 25 |
| Complexity | 667.0 |
Chemical Identifiers
| CAS Number | 2956-40-3 |
|---|---|
| SMILES | C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@@H]4CC5([C@H]3CC[C@@H]5C(=O)CO)CO4 |
| InChIKey | ZEBLTAXSHAKMDJ-QBSCYWOBSA-N |
Product Overview
18-脱氧醛固酮 (CAS 2956-40-3), with molecular formula C21H28O4 and molecular weight 344.20 g/mol. IUPAC: (2S,5S,6S,14R,15S,16S)-2-(2-hydroxyacetyl)-14-methyl-17-oxapentacyclo[14.2.1.01,5.06,15.09,14]nonadec-9-en-11-one.
Chemical Property Profile of 18-脱氧醛固酮
Property Insights of 18-脱氧醛固酮
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 18-脱氧醛固酮. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 18-脱氧醛固酮. Following Lipinski's Rule of Five, 18-脱氧醛固酮 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 18-脱氧醛固酮?
The CAS number of 18-脱氧醛固酮 is 2956-40-3.
What is the molecular formula of 18-脱氧醛固酮?
The molecular formula of 18-脱氧醛固酮 is C21H28O4.
What is the molecular weight of 18-脱氧醛固酮?
The molecular weight of 18-脱氧醛固酮 is 344.20 g/mol.
Where can I buy 18-脱氧醛固酮?
You can request a quote for 18-脱氧醛固酮 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 18-脱氧醛固酮?
Yes, KEHONG BIO provides custom synthesis services for 18-脱氧醛固酮 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.