Isorauhimbine
TL;DR: Isorauhimbine (CAS 483-09-0) is a chemical compound with molecular formula C21H26N2O3 and molecular weight 354.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (1R,15S,18S,19S,20S)-18-hydroxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate
Also Known As: Isorauhimbine, 3-Epiisoyohimbine, Isorauhimbin, 3-epi-alpha-Yohimbine, 3-epi-a-Yohimbine
| Molecular Formula | C21H26N2O3 |
|---|---|
| Molecular Weight | 354.19 g/mol |
| LogP | 2.6471 |
| Topological Polar Surface Area | 65.56 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 354.19434 |
| Heavy Atoms | 26 |
| Complexity | 844.8938 |
Chemical Identifiers
| CAS Number | 483-09-0 |
|---|---|
| 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 |
Product Overview
Isorauhimbine (CAS 483-09-0), with molecular formula C21H26N2O3 and molecular weight 354.19 g/mol. IUPAC: methyl (1R,15S,18S,19S,20S)-18-hydroxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate.
Chemical Property Profile of Isorauhimbine
Property Insights of Isorauhimbine
The XLogP value of 2.6471 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isorauhimbine. The TPSA of 65.56 Ų falls within the moderate polarity range, balancing permeability and solubility for Isorauhimbine. Following Lipinski's Rule of Five, Isorauhimbine has 2 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 Isorauhimbine?
The CAS number of Isorauhimbine is 483-09-0.
What is the molecular formula of Isorauhimbine?
The molecular formula of Isorauhimbine is C21H26N2O3.
What is the molecular weight of Isorauhimbine?
The molecular weight of Isorauhimbine is 354.19 g/mol.
Where can I buy Isorauhimbine?
You can request a quote for Isorauhimbine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isorauhimbine?
Yes, KEHONG BIO provides custom synthesis services for Isorauhimbine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.