Halocarban
TL;DR: Halocarban (CAS 369-77-7) is a chemical compound with molecular formula C14H9Cl2F3N2O and molecular weight 348.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-chlorophenyl)-3-[4-chloro-3-(trifluoromethyl)phenyl]urea
Also Known As: Halocarban, Cloflucarban, Halocarbano, Cloflucarbon, Halocarbanum
| Molecular Formula | C14H9Cl2F3N2O |
|---|---|
| Molecular Weight | 348.00 g/mol |
| LogP | 5.3 |
| Topological Polar Surface Area | 41.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 348.0044 |
| Heavy Atoms | 22 |
| Complexity | 387.0 |
Chemical Identifiers
| CAS Number | 369-77-7 |
|---|---|
| SMILES | C1=CC(=CC=C1NC(=O)NC2=CC(=C(C=C2)Cl)C(F)(F)F)Cl |
| InChIKey | ZFSXZJXLKAJIGS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Halocarban (CAS 369-77-7), with molecular formula C14H9Cl2F3N2O and molecular weight 348.00 g/mol. IUPAC: 1-(4-chlorophenyl)-3-[4-chloro-3-(trifluoromethyl)phenyl]urea.
Chemical Property Profile of Halocarban
Property Insights of Halocarban
The XLogP value of 5.3 indicates that Halocarban is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.1 Ų, Halocarban exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Halocarban has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Halocarban?
The CAS number of Halocarban is 369-77-7.
What is the molecular formula of Halocarban?
The molecular formula of Halocarban is C14H9Cl2F3N2O.
What is the molecular weight of Halocarban?
The molecular weight of Halocarban is 348.00 g/mol.
Where can I buy Halocarban?
You can request a quote for Halocarban directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Halocarban?
Yes, KEHONG BIO provides custom synthesis services for Halocarban and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.