20-alpha-Yohimban, hydrochloride
TL;DR: 20-alpha-Yohimban, hydrochloride (CAS 75431-45-7) 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,15S,18R,19R,20S)-18-hydroxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate;hydrochloride
Also Known As: Antagonil, allo-Yohimbine hydrochloride, allo-Yohimbin hydrochloride, 20-alpha-Yohimban, hydrochloride, RefChem:1064894
| Molecular Formula | C21H27ClN2O3 |
|---|---|
| Molecular Weight | 390.17 g/mol |
| LogP | 3.0689 |
| Topological Polar Surface Area | 65.56 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 390.17102 |
| Heavy Atoms | 27 |
| Complexity | 851.06433 |
Chemical Identifiers
| CAS Number | 75431-45-7 |
|---|---|
| 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 |
Product Overview
20-alpha-Yohimban, hydrochloride (CAS 75431-45-7), with molecular formula C21H27ClN2O3 and molecular weight 390.17 g/mol. IUPAC: methyl (1S,15S,18R,19R,20S)-18-hydroxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate;hydrochloride.
Chemical Property Profile of 20-alpha-Yohimban, hydrochloride
Property Insights of 20-alpha-Yohimban, hydrochloride
The XLogP value of 3.0689 indicates that 20-alpha-Yohimban, hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.56 Ų falls within the moderate polarity range, balancing permeability and solubility for 20-alpha-Yohimban, hydrochloride. Following Lipinski's Rule of Five, 20-alpha-Yohimban, hydrochloride 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 20-alpha-Yohimban, hydrochloride?
The CAS number of 20-alpha-Yohimban, hydrochloride is 75431-45-7.
What is the molecular formula of 20-alpha-Yohimban, hydrochloride?
The molecular formula of 20-alpha-Yohimban, hydrochloride is C21H27ClN2O3.
What is the molecular weight of 20-alpha-Yohimban, hydrochloride?
The molecular weight of 20-alpha-Yohimban, hydrochloride is 390.17 g/mol.
Where can I buy 20-alpha-Yohimban, hydrochloride?
You can request a quote for 20-alpha-Yohimban, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 20-alpha-Yohimban, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 20-alpha-Yohimban, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.