氯苯达诺
TL;DR: 氯苯达诺 (CAS 791-35-5) is a chemical compound with molecular formula C17H20ClNO and molecular weight 289.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
氯苯达诺
1-(2-chlorophenyl)-3-(dimethylamino)-1-phenylpropan-1-ol
Also Known As: Clofedanol, CHLOPHEDIANOL, Chlofedanol, Tussistop, Dencyl
| Molecular Formula | C17H20ClNO |
|---|---|
| Molecular Weight | 289.12 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 23.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 289.12335 |
| Heavy Atoms | 20 |
| Complexity | 291.0 |
| Melting Point | 120 |
| Solubility | 6.21e-02 g/L |
Chemical Identifiers
| CAS Number | 791-35-5 |
|---|---|
| SMILES | CN(C)CCC(C1=CC=CC=C1)(C2=CC=CC=C2Cl)O |
| InChIKey | WRCHFMBCVFFYEQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
氯苯达诺 (CAS 791-35-5), with molecular formula C17H20ClNO and molecular weight 289.12 g/mol. IUPAC: 1-(2-chlorophenyl)-3-(dimethylamino)-1-phenylpropan-1-ol.
Chemical Property Profile of 氯苯达诺
Property Insights of 氯苯达诺
The XLogP value of 3.6 indicates that 氯苯达诺 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.5 Ų, 氯苯达诺 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 氯苯达诺 has 1 hydrogen bond donor(s) and 2 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 氯苯达诺?
The CAS number of 氯苯达诺 is 791-35-5.
What is the molecular formula of 氯苯达诺?
The molecular formula of 氯苯达诺 is C17H20ClNO.
What is the molecular weight of 氯苯达诺?
The molecular weight of 氯苯达诺 is 289.12 g/mol.
Where can I buy 氯苯达诺?
You can request a quote for 氯苯达诺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 氯苯达诺?
Yes, KEHONG BIO provides custom synthesis services for 氯苯达诺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.