Benzene, (1,3,3,3-tetrachloropropyl)-
TL;DR: Benzene, (1,3,3,3-tetrachloropropyl)- (CAS 23691-27-2) is a chemical compound with molecular formula C9H8Cl4 and molecular weight 255.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3,3,3-tetrachloropropylbenzene
Also Known As: (1,3,3,3-Tetrachloropropyl)benzene, 1,3,3,3-tetrachloropropylbenzene, Benzene, (1,3,3,3-tetrachloropropyl)-, 1,1,1,3-tetrachloro-3-phenylpropane, 1-phenyl-1,3,3,3-tetrachloropropane
| Molecular Formula | C9H8Cl4 |
|---|---|
| Molecular Weight | 255.94 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 2 |
| Exact Mass | 257.93506 |
| Heavy Atoms | 13 |
| Complexity | 146.0 |
Chemical Identifiers
| CAS Number | 23691-27-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(CC(Cl)(Cl)Cl)Cl |
| InChIKey | JJRCOEWDFJHOFK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzene, (1,3,3,3-tetrachloropropyl)- (CAS 23691-27-2), with molecular formula C9H8Cl4 and molecular weight 255.94 g/mol. IUPAC: 1,3,3,3-tetrachloropropylbenzene.
Chemical Property Profile of Benzene, (1,3,3,3-tetrachloropropyl)-
Property Insights of Benzene, (1,3,3,3-tetrachloropropyl)-
The XLogP value of 4.6 indicates that Benzene, (1,3,3,3-tetrachloropropyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, Benzene, (1,3,3,3-tetrachloropropyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzene, (1,3,3,3-tetrachloropropyl)- 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 Benzene, (1,3,3,3-tetrachloropropyl)-?
The CAS number of Benzene, (1,3,3,3-tetrachloropropyl)- is 23691-27-2.
What is the molecular formula of Benzene, (1,3,3,3-tetrachloropropyl)-?
The molecular formula of Benzene, (1,3,3,3-tetrachloropropyl)- is C9H8Cl4.
What is the molecular weight of Benzene, (1,3,3,3-tetrachloropropyl)-?
The molecular weight of Benzene, (1,3,3,3-tetrachloropropyl)- is 255.94 g/mol.
Where can I buy Benzene, (1,3,3,3-tetrachloropropyl)-?
You can request a quote for Benzene, (1,3,3,3-tetrachloropropyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzene, (1,3,3,3-tetrachloropropyl)-?
Yes, KEHONG BIO provides custom synthesis services for Benzene, (1,3,3,3-tetrachloropropyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.