1,1-Diethyl-3-(4-chloro-2-methylphenyl)urea
TL;DR: 1,1-Diethyl-3-(4-chloro-2-methylphenyl)urea (CAS 15441-97-1) is a chemical compound with molecular formula C12H17ClN2O and molecular weight 240.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-chloro-2-methylphenyl)-1,1-diethylurea
Also Known As: 3-(4-chloro-2-methylphenyl)-1,1-diethylurea, Urea, 3-(4-chloro-o-tolyl)-1,1-diethyl-, 1-(4-chloro-2-methylphenyl)-3,3-diethylurea, N'-(4-Chloro-2-methylphenyl)-N,N-diethylurea, 1,1-DIETHYL-3-(4-CHLORO-2-METHYLPHENYL)UREA
| Molecular Formula | C12H17ClN2O |
|---|---|
| Molecular Weight | 240.10 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 32.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 240.10294 |
| Heavy Atoms | 16 |
| Complexity | 231.0 |
Chemical Identifiers
| CAS Number | 15441-97-1 |
|---|---|
| SMILES | CCN(CC)C(=O)NC1=C(C=C(C=C1)Cl)C |
| InChIKey | OOXWRDYHLKIAKR-UHFFFAOYSA-N |
Product Overview
1,1-Diethyl-3-(4-chloro-2-methylphenyl)urea (CAS 15441-97-1), with molecular formula C12H17ClN2O and molecular weight 240.10 g/mol. IUPAC: 3-(4-chloro-2-methylphenyl)-1,1-diethylurea.
Chemical Property Profile of 1,1-Diethyl-3-(4-chloro-2-methylphenyl)urea
Property Insights of 1,1-Diethyl-3-(4-chloro-2-methylphenyl)urea
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,1-Diethyl-3-(4-chloro-2-methylphenyl)urea. With a topological polar surface area (TPSA) of 32.3 Ų, 1,1-Diethyl-3-(4-chloro-2-methylphenyl)urea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1-Diethyl-3-(4-chloro-2-methylphenyl)urea has 1 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 1,1-Diethyl-3-(4-chloro-2-methylphenyl)urea?
The CAS number of 1,1-Diethyl-3-(4-chloro-2-methylphenyl)urea is 15441-97-1.
What is the molecular formula of 1,1-Diethyl-3-(4-chloro-2-methylphenyl)urea?
The molecular formula of 1,1-Diethyl-3-(4-chloro-2-methylphenyl)urea is C12H17ClN2O.
What is the molecular weight of 1,1-Diethyl-3-(4-chloro-2-methylphenyl)urea?
The molecular weight of 1,1-Diethyl-3-(4-chloro-2-methylphenyl)urea is 240.10 g/mol.
Where can I buy 1,1-Diethyl-3-(4-chloro-2-methylphenyl)urea?
You can request a quote for 1,1-Diethyl-3-(4-chloro-2-methylphenyl)urea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1-Diethyl-3-(4-chloro-2-methylphenyl)urea?
Yes, KEHONG BIO provides custom synthesis services for 1,1-Diethyl-3-(4-chloro-2-methylphenyl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.