Methyl (2-((2-chloroethyl)aminocarbonyl)phenyl)carbamate
TL;DR: Methyl (2-((2-chloroethyl)aminocarbonyl)phenyl)carbamate (CAS 85098-73-3) is a chemical compound with molecular formula C11H13ClN2O3 and molecular weight 256.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl N-[2-(2-chloroethylcarbamoyl)phenyl]carbamate
Also Known As: Methyl (2-((2-chloroethyl)aminocarbonyl)phenyl)carbamate, EINECS 285-425-1, methyl N-[2-(2-chloroethylcarbamoyl)phenyl]carbamate, methyl[2-[ aminocarbonyl]phenyl]carbamate, Methyl {2-[(2-chloroethyl)carbamoyl]phenyl}carbamate
| Molecular Formula | C11H13ClN2O3 |
|---|---|
| Molecular Weight | 256.06 g/mol |
| LogP | 1.8335 |
| Topological Polar Surface Area | 67.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 256.06146 |
| Heavy Atoms | 17 |
| Complexity | 409.45795 |
Chemical Identifiers
| CAS Number | 85098-73-3 |
|---|---|
| SMILES | COC(=O)NC1=CC=CC=C1C(=O)NCCCl |
Product Overview
Methyl (2-((2-chloroethyl)aminocarbonyl)phenyl)carbamate (CAS 85098-73-3), with molecular formula C11H13ClN2O3 and molecular weight 256.06 g/mol. IUPAC: methyl N-[2-(2-chloroethylcarbamoyl)phenyl]carbamate.
Chemical Property Profile of Methyl (2-((2-chloroethyl)aminocarbonyl)phenyl)carbamate
Property Insights of Methyl (2-((2-chloroethyl)aminocarbonyl)phenyl)carbamate
The XLogP value of 1.8335 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl (2-((2-chloroethyl)aminocarbonyl)phenyl)carbamate. The TPSA of 67.43 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl (2-((2-chloroethyl)aminocarbonyl)phenyl)carbamate. Following Lipinski's Rule of Five, Methyl (2-((2-chloroethyl)aminocarbonyl)phenyl)carbamate 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
Frequently Asked Questions
What is the CAS number of Methyl (2-((2-chloroethyl)aminocarbonyl)phenyl)carbamate?
The CAS number of Methyl (2-((2-chloroethyl)aminocarbonyl)phenyl)carbamate is 85098-73-3.
What is the molecular formula of Methyl (2-((2-chloroethyl)aminocarbonyl)phenyl)carbamate?
The molecular formula of Methyl (2-((2-chloroethyl)aminocarbonyl)phenyl)carbamate is C11H13ClN2O3.
What is the molecular weight of Methyl (2-((2-chloroethyl)aminocarbonyl)phenyl)carbamate?
The molecular weight of Methyl (2-((2-chloroethyl)aminocarbonyl)phenyl)carbamate is 256.06 g/mol.
Where can I buy Methyl (2-((2-chloroethyl)aminocarbonyl)phenyl)carbamate?
You can request a quote for Methyl (2-((2-chloroethyl)aminocarbonyl)phenyl)carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl (2-((2-chloroethyl)aminocarbonyl)phenyl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for Methyl (2-((2-chloroethyl)aminocarbonyl)phenyl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.