m-Toluic acid, 1-(2-chloroethyl)ureylene-, methyl ester
TL;DR: m-Toluic acid, 1-(2-chloroethyl)ureylene-, methyl ester (CAS 64624-42-6) is a chemical compound with molecular formula C12H15ClN2O3 and molecular weight 270.07712 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 2-(2-chloroethylcarbamoylamino)-3-methylbenzoate
Also Known As: 1-(2-Chloroethyl)-3-(2-carbomethoxy-6-methylphenyl)urea, m-Toluic acid, 1-(2-chloroethyl)ureylene-, methyl ester, Urea, 1-(2-chloroethyl)-3-(2-methoxycarbonyl-o-tolyl)-, methyl 2-(2-chloroethylcarbamoylamino)-3-methylbenzoate, Benzoic acid, 2-((((2-chloroethyl)amino)carbonyl)amino)-3-methyl-, methyl ester
Technical Specifications
| Molecular Formula | C12H15ClN2O3 |
| Molecular Weight | 270.07712 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 67.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 270.07712 Da |
| Heavy Atoms | 18 |
| Complexity | 299.0 |
| SMILES | CC1=C(C(=CC=C1)C(=O)OC)NC(=O)NCCCl |
| InChIKey | XKQQEVUONYSUQX-UHFFFAOYSA-N |
Chemical Property Profile of m-Toluic acid, 1-(2-chloroethyl)ureylene-, methyl ester
Property Insights of m-Toluic acid, 1-(2-chloroethyl)ureylene-, methyl ester
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for m-Toluic acid, 1-(2-chloroethyl)ureylene-, methyl ester. The TPSA of 67.4 Ų falls within the moderate polarity range, balancing permeability and solubility for m-Toluic acid, 1-(2-chloroethyl)ureylene-, methyl ester. Following Lipinski's Rule of Five, m-Toluic acid, 1-(2-chloroethyl)ureylene-, methyl ester has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of m-Toluic acid, 1-(2-chloroethyl)ureylene-, methyl ester?
The CAS number of m-Toluic acid, 1-(2-chloroethyl)ureylene-, methyl ester is 64624-42-6.
What is the molecular formula of m-Toluic acid, 1-(2-chloroethyl)ureylene-, methyl ester?
The molecular formula of m-Toluic acid, 1-(2-chloroethyl)ureylene-, methyl ester is C12H15ClN2O3.
What is the molecular weight of m-Toluic acid, 1-(2-chloroethyl)ureylene-, methyl ester?
The molecular weight of m-Toluic acid, 1-(2-chloroethyl)ureylene-, methyl ester is 270.07712 g/mol.
Where can I buy m-Toluic acid, 1-(2-chloroethyl)ureylene-, methyl ester?
You can request a quote for m-Toluic acid, 1-(2-chloroethyl)ureylene-, methyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for m-Toluic acid, 1-(2-chloroethyl)ureylene-, methyl ester?
Yes, CoreyChem provides custom synthesis services for m-Toluic acid, 1-(2-chloroethyl)ureylene-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.