N-(2-Chloroethyl)-N-(2-methylphenyl)triimidodicarbonic acid
TL;DR: N-(2-Chloroethyl)-N-(2-methylphenyl)triimidodicarbonic acid (CAS 76267-34-0) is a chemical compound with molecular formula C11H14ClN3O2 and molecular weight 255.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-carbamoyl-1-(2-chloroethyl)-3-(2-methylphenyl)urea
Also Known As: 1-(2-Chloroethyl)-3-methyl-5-phenylbiuret, 1-(2-chloroethylcarbamoyl)-1-methyl-3-phenylurea, N-(2-Chloroethyl)-2-methyl-N'-phenylimidodicarbonic diamide, N-(2-Chloroethyl)-N-(2-methylphenyl)triimidodicarbonic acid, 1-carbamoyl-1-(2-chloroethyl)-3-(2-methylphenyl)urea
| Molecular Formula | C11H14ClN3O2 |
|---|---|
| Molecular Weight | 255.08 g/mol |
| LogP | 2.14642 |
| Topological Polar Surface Area | 75.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 255.07745 |
| Heavy Atoms | 17 |
| Complexity | 422.9325 |
Chemical Identifiers
| CAS Number | 76267-34-0 |
|---|---|
| SMILES | CC1=CC=CC=C1NC(=O)N(CCCl)C(=O)N |
Product Overview
N-(2-Chloroethyl)-N-(2-methylphenyl)triimidodicarbonic acid (CAS 76267-34-0), with molecular formula C11H14ClN3O2 and molecular weight 255.08 g/mol. IUPAC: 1-carbamoyl-1-(2-chloroethyl)-3-(2-methylphenyl)urea.
Chemical Property Profile of N-(2-Chloroethyl)-N-(2-methylphenyl)triimidodicarbonic acid
Property Insights of N-(2-Chloroethyl)-N-(2-methylphenyl)triimidodicarbonic acid
The XLogP value of 2.14642 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(2-Chloroethyl)-N-(2-methylphenyl)triimidodicarbonic acid. The TPSA of 75.43 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2-Chloroethyl)-N-(2-methylphenyl)triimidodicarbonic acid. Following Lipinski's Rule of Five, N-(2-Chloroethyl)-N-(2-methylphenyl)triimidodicarbonic acid has 2 hydrogen bond donor(s) and 2 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 N-(2-Chloroethyl)-N-(2-methylphenyl)triimidodicarbonic acid?
The CAS number of N-(2-Chloroethyl)-N-(2-methylphenyl)triimidodicarbonic acid is 76267-34-0.
What is the molecular formula of N-(2-Chloroethyl)-N-(2-methylphenyl)triimidodicarbonic acid?
The molecular formula of N-(2-Chloroethyl)-N-(2-methylphenyl)triimidodicarbonic acid is C11H14ClN3O2.
What is the molecular weight of N-(2-Chloroethyl)-N-(2-methylphenyl)triimidodicarbonic acid?
The molecular weight of N-(2-Chloroethyl)-N-(2-methylphenyl)triimidodicarbonic acid is 255.08 g/mol.
Where can I buy N-(2-Chloroethyl)-N-(2-methylphenyl)triimidodicarbonic acid?
You can request a quote for N-(2-Chloroethyl)-N-(2-methylphenyl)triimidodicarbonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2-Chloroethyl)-N-(2-methylphenyl)triimidodicarbonic acid?
Yes, KEHONG BIO provides custom synthesis services for N-(2-Chloroethyl)-N-(2-methylphenyl)triimidodicarbonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.