Epimetoserpate
TL;DR: Epimetoserpate (CAS 4835-71-6) is a chemical compound with molecular formula C24H32N2O5 and molecular weight 428.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (1R,15S,17R,18R,19S,20S)-6,17,18-trimethoxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate
Also Known As: Epimetoserpate, METOSERPATE, Reserpic acid, O-methyl-, methyl ester, 3beta,20alpha-Yohimban-16beta-carboxylic acid, 11,17alpha,18beta-trimethoxy-, methyl ester, 3.BETA.,20.ALPHA.-YOHIMBAN-16.BETA.-CARBOXYLIC ACID, 11,17.ALPHA.,18.BETA.-TRIMETHOXY-, METHYL ESTER
| Molecular Formula | C24H32N2O5 |
|---|---|
| Molecular Weight | 428.23 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 73.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 428.2311 |
| Heavy Atoms | 31 |
| Complexity | 662.0 |
Chemical Identifiers
| CAS Number | 4835-71-6 |
|---|---|
| SMILES | CO[C@@H]1C[C@@H]2CN3CCC4=C([C@H]3C[C@@H]2[C@@H]([C@H]1OC)C(=O)OC)NC5=C4C=CC(=C5)OC |
| InChIKey | FPGCYQVKNKEGRQ-YLEMTSRXSA-N |
Product Overview
Epimetoserpate (CAS 4835-71-6), with molecular formula C24H32N2O5 and molecular weight 428.23 g/mol. IUPAC: methyl (1R,15S,17R,18R,19S,20S)-6,17,18-trimethoxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate.
Chemical Property Profile of Epimetoserpate
Property Insights of Epimetoserpate
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Epimetoserpate. The TPSA of 73.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Epimetoserpate. Following Lipinski's Rule of Five, Epimetoserpate has 1 hydrogen bond donor(s) and 6 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 Epimetoserpate?
The CAS number of Epimetoserpate is 4835-71-6.
What is the molecular formula of Epimetoserpate?
The molecular formula of Epimetoserpate is C24H32N2O5.
What is the molecular weight of Epimetoserpate?
The molecular weight of Epimetoserpate is 428.23 g/mol.
Where can I buy Epimetoserpate?
You can request a quote for Epimetoserpate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Epimetoserpate?
Yes, KEHONG BIO provides custom synthesis services for Epimetoserpate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.