2-Chlorophenylurea
TL;DR: 2-Chlorophenylurea (CAS 114-38-5) is a chemical compound with molecular formula C7H7ClN2O and molecular weight 170.02469 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2-chlorophenyl)urea
Also Known As: 1-(2-chlorophenyl)urea, 2-Chlorophenylurea, (2-CHLOROPHENYL)UREA, N-(2-chlorophenyl)urea, (o-Chlorophenyl)urea
Application Areas
Top 5 of 11 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C7H7ClN2O |
| Molecular Weight | 170.02469 g/mol |
| XLogP | 1.3 |
| Topological Polar Surface Area (TPSA) | 55.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 170.02469 Da |
| Heavy Atoms | 11 |
| Complexity | 151.0 |
| SMILES | C1=CC=C(C(=C1)NC(=O)N)Cl |
| InChIKey | ASPIQYFYSMQBHA-UHFFFAOYSA-N |
Chemical Property Profile of 2-Chlorophenylurea
Property Insights of 2-Chlorophenylurea
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Chlorophenylurea. With a topological polar surface area (TPSA) of 55.1 Ų, 2-Chlorophenylurea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chlorophenylurea has 2 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-Chlorophenylurea?
The CAS number of 2-Chlorophenylurea is 114-38-5.
What is the molecular formula of 2-Chlorophenylurea?
The molecular formula of 2-Chlorophenylurea is C7H7ClN2O.
What is the molecular weight of 2-Chlorophenylurea?
The molecular weight of 2-Chlorophenylurea is 170.02469 g/mol.
Where can I buy 2-Chlorophenylurea?
You can request a quote for 2-Chlorophenylurea directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Chlorophenylurea?
Yes, CoreyChem provides custom synthesis services for 2-Chlorophenylurea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.