Chlorbenzoxamine
TL;DR: Chlorbenzoxamine (CAS 522-18-9) is a chemical compound with molecular formula C27H31ClN2O and molecular weight 434.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2-[(2-chlorophenyl)-phenylmethoxy]ethyl]-4-[(2-methylphenyl)methyl]piperazine
Also Known As: Chlorbenzoxamine, Clorbenzoxamina, Clorbenzossamina, chlorobenzoxamine, Chlorbenzoxaminum
| Molecular Formula | C27H31ClN2O |
|---|---|
| Molecular Weight | 434.21 g/mol |
| LogP | 5.6 |
| Topological Polar Surface Area | 15.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 434.2125 |
| Heavy Atoms | 31 |
| Complexity | 503.0 |
Chemical Identifiers
| CAS Number | 522-18-9 |
|---|---|
| SMILES | CC1=CC=CC=C1CN2CCN(CC2)CCOC(C3=CC=CC=C3)C4=CC=CC=C4Cl |
| InChIKey | VEVSKUJZSMGTMM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Chlorbenzoxamine (CAS 522-18-9), with molecular formula C27H31ClN2O and molecular weight 434.21 g/mol. IUPAC: 1-[2-[(2-chlorophenyl)-phenylmethoxy]ethyl]-4-[(2-methylphenyl)methyl]piperazine.
Chemical Property Profile of Chlorbenzoxamine
Property Insights of Chlorbenzoxamine
The XLogP value of 5.6 indicates that Chlorbenzoxamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 15.7 Ų, Chlorbenzoxamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Chlorbenzoxamine has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Chlorbenzoxamine?
The CAS number of Chlorbenzoxamine is 522-18-9.
What is the molecular formula of Chlorbenzoxamine?
The molecular formula of Chlorbenzoxamine is C27H31ClN2O.
What is the molecular weight of Chlorbenzoxamine?
The molecular weight of Chlorbenzoxamine is 434.21 g/mol.
Where can I buy Chlorbenzoxamine?
You can request a quote for Chlorbenzoxamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Chlorbenzoxamine?
Yes, KEHONG BIO provides custom synthesis services for Chlorbenzoxamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.