育亨宾
TL;DR: 育亨宾 (CAS 146-48-5) 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.
育亨宾
methyl (1S,15R,18S,19R,20S)-18-hydroxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate
Also Known As: Yohimbine, Yohimbin, Quebrachine, Quebrachin, Corynine
| Molecular Formula | C21H26N2O3 |
|---|---|
| Molecular Weight | 354.19 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 65.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 354.19434 |
| Heavy Atoms | 26 |
| Complexity | 555.0 |
| Melting Point | 241 |
| Solubility | 3.48e-01 g/L |
Chemical Identifiers
| CAS Number | 146-48-5 |
|---|---|
| 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 |
| InChIKey | BLGXFZZNTVWLAY-SCYLSFHTSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
育亨宾 (CAS 146-48-5), with molecular formula C21H26N2O3 and molecular weight 354.19 g/mol. IUPAC: methyl (1S,15R,18S,19R,20S)-18-hydroxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate.
Chemical Property Profile of 育亨宾
Property Insights of 育亨宾
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 育亨宾. The TPSA of 65.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 育亨宾. Following Lipinski's Rule of Five, 育亨宾 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 育亨宾?
The CAS number of 育亨宾 is 146-48-5.
What is the molecular formula of 育亨宾?
The molecular formula of 育亨宾 is C21H26N2O3.
What is the molecular weight of 育亨宾?
The molecular weight of 育亨宾 is 354.19 g/mol.
Where can I buy 育亨宾?
You can request a quote for 育亨宾 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 育亨宾?
Yes, KEHONG BIO provides custom synthesis services for 育亨宾 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.