Rauhimbine
TL;DR: Rauhimbine (CAS 123333-62-0) is a chemical compound with molecular formula C21H27ClN2O3 and molecular weight 390.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (1S,15R,18S,19S,20S)-18-hydroxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate;hydrochloride
Also Known As: Rauhimbine, Corynanthine hydrochloride, Antagonil, TRIISOBUTYLAMINE, Chlorhydrate de corynanthine
| Molecular Formula | C21H27ClN2O3 |
|---|---|
| Molecular Weight | 390.17 g/mol |
| LogP | 3.0689 |
| Topological Polar Surface Area | 65.6 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 390.17102 |
| Heavy Atoms | 27 |
| Complexity | 555.0 |
Chemical Identifiers
| CAS Number | 123333-62-0 |
|---|---|
| SMILES | COC(=O)[C@@H]1[C@H](CC[C@@H]2[C@@H]1C[C@H]3C4=C(CCN3C2)C5=CC=CC=C5N4)O.Cl |
| InChIKey | PIPZGJSEDRMUAW-VYDVLXQVSA-N |
Product Overview
Rauhimbine (CAS 123333-62-0), with molecular formula C21H27ClN2O3 and molecular weight 390.17 g/mol. IUPAC: methyl (1S,15R,18S,19S,20S)-18-hydroxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate;hydrochloride.
Chemical Property Profile of Rauhimbine
Property Insights of Rauhimbine
The XLogP value of 3.0689 indicates that Rauhimbine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Rauhimbine. Following Lipinski's Rule of Five, Rauhimbine has 3 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 Rauhimbine?
The CAS number of Rauhimbine is 123333-62-0.
What is the molecular formula of Rauhimbine?
The molecular formula of Rauhimbine is C21H27ClN2O3.
What is the molecular weight of Rauhimbine?
The molecular weight of Rauhimbine is 390.17 g/mol.
Where can I buy Rauhimbine?
You can request a quote for Rauhimbine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Rauhimbine?
Yes, KEHONG BIO provides custom synthesis services for Rauhimbine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.