酚苄明
TL;DR: 酚苄明 (CAS 59-96-1) is a chemical compound with molecular formula C18H22ClNO and molecular weight 303.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
酚苄明
N-benzyl-N-(2-chloroethyl)-1-phenoxypropan-2-amine
Also Known As: phenoxybenzamine, Dibenylin, Dibenzyline, Dibenyline, Bensylyt
| Molecular Formula | C18H22ClNO |
|---|---|
| Molecular Weight | 303.14 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 12.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 8 |
| Exact Mass | 303.13898 |
| Heavy Atoms | 21 |
| Complexity | 262.0 |
| Melting Point | 39 |
| Solubility | WHITE CRYSTALLINE POWDER; SOL IN 9 PARTS CHLOROFORM; INSOL IN DIETHYLETHER /PHENOXYBENZAMINE HYDROCHLORIDE/ |
Chemical Identifiers
| CAS Number | 59-96-1 |
|---|---|
| SMILES | CC(COC1=CC=CC=C1)N(CCCl)CC2=CC=CC=C2 |
| InChIKey | QZVCTJOXCFMACW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
酚苄明 (CAS 59-96-1), with molecular formula C18H22ClNO and molecular weight 303.14 g/mol. IUPAC: N-benzyl-N-(2-chloroethyl)-1-phenoxypropan-2-amine.
Chemical Property Profile of 酚苄明
Property Insights of 酚苄明
The XLogP value of 4.4 indicates that 酚苄明 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.5 Ų, 酚苄明 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 酚苄明 has 0 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 酚苄明?
The CAS number of 酚苄明 is 59-96-1.
What is the molecular formula of 酚苄明?
The molecular formula of 酚苄明 is C18H22ClNO.
What is the molecular weight of 酚苄明?
The molecular weight of 酚苄明 is 303.14 g/mol.
Where can I buy 酚苄明?
You can request a quote for 酚苄明 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 酚苄明?
Yes, KEHONG BIO provides custom synthesis services for 酚苄明 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.