Chloro(2H5)benzene
TL;DR: Chloro(2H5)benzene (CAS 313402-16-3) is a chemical compound with molecular formula C6H5Cl and molecular weight 117.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-chloro-2,3,4,5,6-pentadeuteriobenzene
Also Known As: Chlorobenzene-d5, Chlorobenzene D5, Chloro(2H5)benzene, chlorobenzene-d, Benzene-d5, chloro-
| Molecular Formula | C6H5Cl |
|---|---|
| Molecular Weight | 117.04 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 117.03936 |
| Heavy Atoms | 7 |
| Complexity | 46.0 |
Chemical Identifiers
| CAS Number | 313402-16-3 |
|---|---|
| SMILES | [2H]C1=C(C(=C(C(=C1[2H])[2H])Cl)[2H])[2H] |
| InChIKey | MVPPADPHJFYWMZ-RALIUCGRSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Chloro(2H5)benzene (CAS 313402-16-3), with molecular formula C6H5Cl and molecular weight 117.04 g/mol. IUPAC: 1-chloro-2,3,4,5,6-pentadeuteriobenzene.
Chemical Property Profile of Chloro(2H5)benzene
Property Insights of Chloro(2H5)benzene
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Chloro(2H5)benzene. With a topological polar surface area (TPSA) of 0.0 Ų, Chloro(2H5)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Chloro(2H5)benzene 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 Chloro(2H5)benzene?
The CAS number of Chloro(2H5)benzene is 313402-16-3.
What is the molecular formula of Chloro(2H5)benzene?
The molecular formula of Chloro(2H5)benzene is C6H5Cl.
What is the molecular weight of Chloro(2H5)benzene?
The molecular weight of Chloro(2H5)benzene is 117.04 g/mol.
Where can I buy Chloro(2H5)benzene?
You can request a quote for Chloro(2H5)benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Chloro(2H5)benzene?
Yes, KEHONG BIO provides custom synthesis services for Chloro(2H5)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.