Methyl reserpate
TL;DR: Methyl reserpate (CAS 2901-66-8) is a chemical compound with molecular formula C23H30N2O5 and molecular weight 414.22 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)-17-hydroxy-6,18-dimethoxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate
Also Known As: Methyl reserpate, Methyl reserpinolate, Reserpic Acid Methyl Ester, Methyle reserpate, Reserpate de methyle
| Molecular Formula | C23H30N2O5 |
|---|---|
| Molecular Weight | 414.22 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 84.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 414.21548 |
| Heavy Atoms | 30 |
| Complexity | 647.0 |
Chemical Identifiers
| CAS Number | 2901-66-8 |
|---|---|
| SMILES | CO[C@H]1[C@@H](C[C@@H]2CN3CCC4=C([C@H]3C[C@@H]2[C@@H]1C(=O)OC)NC5=C4C=CC(=C5)OC)O |
| InChIKey | MDJQWFFIUHUJSB-UQVJXISSSA-N |
Product Overview
Methyl reserpate (CAS 2901-66-8), with molecular formula C23H30N2O5 and molecular weight 414.22 g/mol. IUPAC: methyl (1R,15S,17R,18R,19S,20S)-17-hydroxy-6,18-dimethoxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate.
Chemical Property Profile of Methyl reserpate
Property Insights of Methyl reserpate
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl reserpate. The TPSA of 84.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl reserpate. Following Lipinski's Rule of Five, Methyl reserpate has 2 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 Methyl reserpate?
The CAS number of Methyl reserpate is 2901-66-8.
What is the molecular formula of Methyl reserpate?
The molecular formula of Methyl reserpate is C23H30N2O5.
What is the molecular weight of Methyl reserpate?
The molecular weight of Methyl reserpate is 414.22 g/mol.
Where can I buy Methyl reserpate?
You can request a quote for Methyl reserpate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl reserpate?
Yes, KEHONG BIO provides custom synthesis services for Methyl reserpate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.