Urea, 1-(2-chloroethyl)-3-(alpha,2,4-trimethylbenzyl)-
TL;DR: Urea, 1-(2-chloroethyl)-3-(alpha,2,4-trimethylbenzyl)- (CAS 102433-72-7) is a chemical compound with molecular formula C13H19ClN2O and molecular weight 254.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-chloroethyl)-3-[1-(2,4-dimethylphenyl)ethyl]urea
Also Known As: 1-(2-Chloroethyl)-3-(alpha,2,4-trimethylbenzyl)urea, Urea, 1-(2-chloroethyl)-3-(alpha,2,4-trimethylbenzyl)-, 1-(2-chloroethyl)-3-[1-(2,4-dimethylphenyl)ethyl]urea, 3-(2-chloroethyl)-1-[1-(2,4-dimethylphenyl)ethyl]urea, N'-(2-Chloroethyl)-N-[1-(2,4-dimethylphenyl)ethyl]carbamimidic acid
| Molecular Formula | C13H19ClN2O |
|---|---|
| Molecular Weight | 254.12 g/mol |
| LogP | 2.90244 |
| Topological Polar Surface Area | 41.13 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 254.11859 |
| Heavy Atoms | 17 |
| Complexity | 393.0059 |
Chemical Identifiers
| CAS Number | 102433-72-7 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C(C)NC(=O)NCCCl)C |
Product Overview
Urea, 1-(2-chloroethyl)-3-(alpha,2,4-trimethylbenzyl)- (CAS 102433-72-7), with molecular formula C13H19ClN2O and molecular weight 254.12 g/mol. IUPAC: 1-(2-chloroethyl)-3-[1-(2,4-dimethylphenyl)ethyl]urea.
Chemical Property Profile of Urea, 1-(2-chloroethyl)-3-(alpha,2,4-trimethylbenzyl)-
Property Insights of Urea, 1-(2-chloroethyl)-3-(alpha,2,4-trimethylbenzyl)-
The XLogP value of 2.90244 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Urea, 1-(2-chloroethyl)-3-(alpha,2,4-trimethylbenzyl)-. With a topological polar surface area (TPSA) of 41.13 Ų, Urea, 1-(2-chloroethyl)-3-(alpha,2,4-trimethylbenzyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Urea, 1-(2-chloroethyl)-3-(alpha,2,4-trimethylbenzyl)- 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 Urea, 1-(2-chloroethyl)-3-(alpha,2,4-trimethylbenzyl)-?
The CAS number of Urea, 1-(2-chloroethyl)-3-(alpha,2,4-trimethylbenzyl)- is 102433-72-7.
What is the molecular formula of Urea, 1-(2-chloroethyl)-3-(alpha,2,4-trimethylbenzyl)-?
The molecular formula of Urea, 1-(2-chloroethyl)-3-(alpha,2,4-trimethylbenzyl)- is C13H19ClN2O.
What is the molecular weight of Urea, 1-(2-chloroethyl)-3-(alpha,2,4-trimethylbenzyl)-?
The molecular weight of Urea, 1-(2-chloroethyl)-3-(alpha,2,4-trimethylbenzyl)- is 254.12 g/mol.
Where can I buy Urea, 1-(2-chloroethyl)-3-(alpha,2,4-trimethylbenzyl)-?
You can request a quote for Urea, 1-(2-chloroethyl)-3-(alpha,2,4-trimethylbenzyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Urea, 1-(2-chloroethyl)-3-(alpha,2,4-trimethylbenzyl)-?
Yes, KEHONG BIO provides custom synthesis services for Urea, 1-(2-chloroethyl)-3-(alpha,2,4-trimethylbenzyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.