Rauvanine
TL;DR: Rauvanine (CAS 3148-42-3) is a chemical compound with molecular formula C23H28N2O5 and molecular weight 412.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (1S,15R,16R,20S)-6,7-dimethoxy-16-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8,18-pentaene-19-carboxylate
Also Known As: Rauvanine, Rauvanin, Reserpiline, 10,11-Dimethoxy-19-methyl-16,17-didehydrooxayohimban-16-carboxylic acid methyl ester, methyl (1S,15R,16R,20S)-6,7-dimethoxy-16-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8,18-pentaene-19-carboxylate
| Molecular Formula | C23H28N2O5 |
|---|---|
| Molecular Weight | 412.20 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 73.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 412.19983 |
| Heavy Atoms | 30 |
| Complexity | 699.0 |
Chemical Identifiers
| CAS Number | 3148-42-3 |
|---|---|
| SMILES | C[C@@H]1[C@H]2CN3CCC4=C([C@@H]3C[C@@H]2C(=CO1)C(=O)OC)NC5=CC(=C(C=C45)OC)OC |
| InChIKey | FGWJRZQNNZVCHR-FERZIJSQSA-N |
Product Overview
Rauvanine (CAS 3148-42-3), with molecular formula C23H28N2O5 and molecular weight 412.20 g/mol. IUPAC: methyl (1S,15R,16R,20S)-6,7-dimethoxy-16-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8,18-pentaene-19-carboxylate.
Chemical Property Profile of Rauvanine
Property Insights of Rauvanine
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Rauvanine. The TPSA of 73.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Rauvanine. Following Lipinski's Rule of Five, Rauvanine 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 Rauvanine?
The CAS number of Rauvanine is 3148-42-3.
What is the molecular formula of Rauvanine?
The molecular formula of Rauvanine is C23H28N2O5.
What is the molecular weight of Rauvanine?
The molecular weight of Rauvanine is 412.20 g/mol.
Where can I buy Rauvanine?
You can request a quote for Rauvanine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Rauvanine?
Yes, KEHONG BIO provides custom synthesis services for Rauvanine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.