1-(2-Chloroethyl)-3-(2,3-dimethylphenyl)urea
TL;DR: 1-(2-Chloroethyl)-3-(2,3-dimethylphenyl)urea (CAS 235102-07-5) is a chemical compound with molecular formula C11H15ClN2O and molecular weight 226.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-chloroethyl)-3-(2,3-dimethylphenyl)urea
Also Known As: 1-(2,3-Dimethylphenyl)-3-(2-chloroethyl)urea, 1-(2-chloroethyl)-3-(2,3-dimethylphenyl)urea, urea, n-(2-chloroethyl)-n'-(2,3-dimethylphenyl)-, 3-(2-CHLOROETHYL)-1-(2,3-DIMETHYLPHENYL)UREA, N'-(2-Chloroethyl)-N-(2,3-dimethylphenyl)carbamimidic acid
| Molecular Formula | C11H15ClN2O |
|---|---|
| Molecular Weight | 226.09 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 41.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 226.0873 |
| Heavy Atoms | 15 |
| Complexity | 211.0 |
Chemical Identifiers
| CAS Number | 235102-07-5 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)NC(=O)NCCCl)C |
| InChIKey | BPBFKRQKPNMLNN-UHFFFAOYSA-N |
Product Overview
1-(2-Chloroethyl)-3-(2,3-dimethylphenyl)urea (CAS 235102-07-5), with molecular formula C11H15ClN2O and molecular weight 226.09 g/mol. IUPAC: 1-(2-chloroethyl)-3-(2,3-dimethylphenyl)urea.
Chemical Property Profile of 1-(2-Chloroethyl)-3-(2,3-dimethylphenyl)urea
Property Insights of 1-(2-Chloroethyl)-3-(2,3-dimethylphenyl)urea
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2-Chloroethyl)-3-(2,3-dimethylphenyl)urea. With a topological polar surface area (TPSA) of 41.1 Ų, 1-(2-Chloroethyl)-3-(2,3-dimethylphenyl)urea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2-Chloroethyl)-3-(2,3-dimethylphenyl)urea 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
Frequently Asked Questions
What is the CAS number of 1-(2-Chloroethyl)-3-(2,3-dimethylphenyl)urea?
The CAS number of 1-(2-Chloroethyl)-3-(2,3-dimethylphenyl)urea is 235102-07-5.
What is the molecular formula of 1-(2-Chloroethyl)-3-(2,3-dimethylphenyl)urea?
The molecular formula of 1-(2-Chloroethyl)-3-(2,3-dimethylphenyl)urea is C11H15ClN2O.
What is the molecular weight of 1-(2-Chloroethyl)-3-(2,3-dimethylphenyl)urea?
The molecular weight of 1-(2-Chloroethyl)-3-(2,3-dimethylphenyl)urea is 226.09 g/mol.
Where can I buy 1-(2-Chloroethyl)-3-(2,3-dimethylphenyl)urea?
You can request a quote for 1-(2-Chloroethyl)-3-(2,3-dimethylphenyl)urea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-Chloroethyl)-3-(2,3-dimethylphenyl)urea?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-Chloroethyl)-3-(2,3-dimethylphenyl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.