14-Benzoyloxyyohimbine
TL;DR: 14-Benzoyloxyyohimbine (CAS 90362-87-1) is a chemical compound with molecular formula C28H30N2O5 and molecular weight 474.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (1R,15R,18S,19R,20S,21R)-21-benzoyloxy-18-hydroxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate
Also Known As: 14-Benzoyloxyyohimbine, 14beta-Benzoyloxyyohimbine, 14 beta-benzoyloxyyohimbine, 14, A-benzoyloxypseudoyohimbine
| Molecular Formula | C28H30N2O5 |
|---|---|
| Molecular Weight | 474.22 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 91.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 474.21548 |
| Heavy Atoms | 35 |
| Complexity | 800.0 |
Chemical Identifiers
| CAS Number | 90362-87-1 |
|---|---|
| SMILES | COC(=O)[C@H]1[C@H](CC[C@@H]2[C@@H]1[C@H]([C@H]3C4=C(CCN3C2)C5=CC=CC=C5N4)OC(=O)C6=CC=CC=C6)O |
| InChIKey | QBCDFIYIMPXGPX-TWSHGPBOSA-N |
Product Overview
14-Benzoyloxyyohimbine (CAS 90362-87-1), with molecular formula C28H30N2O5 and molecular weight 474.22 g/mol. IUPAC: methyl (1R,15R,18S,19R,20S,21R)-21-benzoyloxy-18-hydroxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate.
Chemical Property Profile of 14-Benzoyloxyyohimbine
Property Insights of 14-Benzoyloxyyohimbine
The XLogP value of 4.2 indicates that 14-Benzoyloxyyohimbine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 14-Benzoyloxyyohimbine. Following Lipinski's Rule of Five, 14-Benzoyloxyyohimbine 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 14-Benzoyloxyyohimbine?
The CAS number of 14-Benzoyloxyyohimbine is 90362-87-1.
What is the molecular formula of 14-Benzoyloxyyohimbine?
The molecular formula of 14-Benzoyloxyyohimbine is C28H30N2O5.
What is the molecular weight of 14-Benzoyloxyyohimbine?
The molecular weight of 14-Benzoyloxyyohimbine is 474.22 g/mol.
Where can I buy 14-Benzoyloxyyohimbine?
You can request a quote for 14-Benzoyloxyyohimbine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 14-Benzoyloxyyohimbine?
Yes, KEHONG BIO provides custom synthesis services for 14-Benzoyloxyyohimbine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.