文拉法辛
TL;DR: 文拉法辛 (CAS 93413-69-5) is a chemical compound with molecular formula C17H27NO2 and molecular weight 277.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
文拉法辛
1-[2-(dimethylamino)-1-(4-methoxyphenyl)ethyl]cyclohexan-1-ol
Also Known As: venlafaxine, D,L-Venlafaxine, Elafax, Venlafaxina, Trevilor
| Molecular Formula | C17H27NO2 |
|---|---|
| Molecular Weight | 277.20 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 32.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 277.2042 |
| Heavy Atoms | 20 |
| Complexity | 279.0 |
| Melting Point | Crystals from ethyl acetate; melting point 102-104 °C; specific optical rotation: +27.6 deg (c = 1.07 in 95% ethanol) /Venlafaxine (+)form/ |
| Solubility | 572 |
Chemical Identifiers
| CAS Number | 93413-69-5 |
|---|---|
| SMILES | CN(C)CC(C1=CC=C(C=C1)OC)C2(CCCCC2)O |
| InChIKey | PNVNVHUZROJLTJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
文拉法辛 (CAS 93413-69-5), with molecular formula C17H27NO2 and molecular weight 277.20 g/mol. IUPAC: 1-[2-(dimethylamino)-1-(4-methoxyphenyl)ethyl]cyclohexan-1-ol.
Chemical Property Profile of 文拉法辛
Property Insights of 文拉法辛
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 文拉法辛. With a topological polar surface area (TPSA) of 32.7 Ų, 文拉法辛 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 文拉法辛 has 1 hydrogen bond donor(s) and 3 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 文拉法辛?
The CAS number of 文拉法辛 is 93413-69-5.
What is the molecular formula of 文拉法辛?
The molecular formula of 文拉法辛 is C17H27NO2.
What is the molecular weight of 文拉法辛?
The molecular weight of 文拉法辛 is 277.20 g/mol.
Where can I buy 文拉法辛?
You can request a quote for 文拉法辛 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 文拉法辛?
Yes, KEHONG BIO provides custom synthesis services for 文拉法辛 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.