1-Benzyl-3-chlorobenzene
TL;DR: 1-Benzyl-3-chlorobenzene (CAS 27798-38-5) is a chemical compound with molecular formula C13H11Cl and molecular weight 202.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzyl-3-chlorobenzene
Also Known As: 1-Benzyl-3-chlorobenzene, 3-Chlorodiphenylmethane, m-chlorodiphenylmethane, 1-Benzyl-3-chlorobenzene #, (3-Chlorophenyl)phenylmethane
| Molecular Formula | C13H11Cl |
|---|---|
| Molecular Weight | 202.05 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 2 |
| Exact Mass | 202.05493 |
| Heavy Atoms | 14 |
| Complexity | 161.0 |
Chemical Identifiers
| CAS Number | 27798-38-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)CC2=CC(=CC=C2)Cl |
| InChIKey | JEOITUQBDPRYRG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Benzyl-3-chlorobenzene (CAS 27798-38-5), with molecular formula C13H11Cl and molecular weight 202.05 g/mol. IUPAC: 1-benzyl-3-chlorobenzene.
Chemical Property Profile of 1-Benzyl-3-chlorobenzene
Property Insights of 1-Benzyl-3-chlorobenzene
The XLogP value of 4.9 indicates that 1-Benzyl-3-chlorobenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 1-Benzyl-3-chlorobenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Benzyl-3-chlorobenzene has 0 hydrogen bond donor(s) and 0 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 1-Benzyl-3-chlorobenzene?
The CAS number of 1-Benzyl-3-chlorobenzene is 27798-38-5.
What is the molecular formula of 1-Benzyl-3-chlorobenzene?
The molecular formula of 1-Benzyl-3-chlorobenzene is C13H11Cl.
What is the molecular weight of 1-Benzyl-3-chlorobenzene?
The molecular weight of 1-Benzyl-3-chlorobenzene is 202.05 g/mol.
Where can I buy 1-Benzyl-3-chlorobenzene?
You can request a quote for 1-Benzyl-3-chlorobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Benzyl-3-chlorobenzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Benzyl-3-chlorobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.