三氯卡班
TL;DR: 三氯卡班 (CAS 101-20-2) is a chemical compound with molecular formula C13H9Cl3N2O and molecular weight 313.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
三氯卡班
1-(4-chlorophenyl)-3-(3,4-dichlorophenyl)urea
Also Known As: Triclocarban, Cutisan, Solubacter, Procutene, Genoface
| Molecular Formula | C13H9Cl3N2O |
|---|---|
| Molecular Weight | 313.98 g/mol |
| LogP | 5.3 |
| Topological Polar Surface Area | 41.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 313.97806 |
| Heavy Atoms | 19 |
| Complexity | 308.0 |
| Melting Point | 482 to 256.1 °C |
| Boiling Point | 250 °C at 97.8 kPa (733 mm Hg) |
| Density | 0.336 g/cu cm at 20 °C |
| Solubility | less than 1 mg/mL at 79 °F (NTP, 1992) |
Chemical Identifiers
| CAS Number | 101-20-2 |
|---|---|
| SMILES | C1=CC(=CC=C1NC(=O)NC2=CC(=C(C=C2)Cl)Cl)Cl |
| InChIKey | ICUTUKXCWQYESQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
三氯卡班 (CAS 101-20-2), with molecular formula C13H9Cl3N2O and molecular weight 313.98 g/mol. IUPAC: 1-(4-chlorophenyl)-3-(3,4-dichlorophenyl)urea.
Chemical Property Profile of 三氯卡班
Property Insights of 三氯卡班
The XLogP value of 5.3 indicates that 三氯卡班 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.1 Ų, 三氯卡班 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 三氯卡班 has 2 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 三氯卡班?
The CAS number of 三氯卡班 is 101-20-2.
What is the molecular formula of 三氯卡班?
The molecular formula of 三氯卡班 is C13H9Cl3N2O.
What is the molecular weight of 三氯卡班?
The molecular weight of 三氯卡班 is 313.98 g/mol.
Where can I buy 三氯卡班?
You can request a quote for 三氯卡班 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 三氯卡班?
Yes, KEHONG BIO provides custom synthesis services for 三氯卡班 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.