![[3-(dimethylcarbamoylamino)phenyl] N-(2-chloroethyl)carbamate structure](/static/products/4286/42865-12-3.webp)
[3-(dimethylcarbamoylamino)phenyl] N-(2-chloroethyl)carbamate
TL;DR: [3-(dimethylcarbamoylamino)phenyl] N-(2-chloroethyl)carbamate (CAS 42865-12-3) is a chemical compound with molecular formula C12H16ClN3O3 and molecular weight 285.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(dimethylcarbamoylamino)phenyl] N-(2-chloroethyl)carbamate
Also Known As: [3-(dimethylcarbamoylamino)phenyl] N-(2-chloroethyl)carbamate|3-[(Dimethylcarbamoyl)amino]phenyl (2-chloroethyl)carbamate|CARBAMIC ACID,(2-CHLOROETHYL)-, 3-[[(DIMETHYLAMINO)CARBONYL]AMINO]PHENYL ESTER (9CI)
| Molecular Formula | C12H16ClN3O3 |
|---|---|
| Molecular Weight | 285.09 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 70.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 285.088 |
| Heavy Atoms | 19 |
| Complexity | 313.0 |
Chemical Identifiers
| CAS Number | 42865-12-3 |
|---|---|
| SMILES | CN(C)C(=O)NC1=CC(=CC=C1)OC(=O)NCCCl |
| InChIKey | DOJJYZCGRWJBRY-UHFFFAOYSA-N |
Product Overview
[3-(dimethylcarbamoylamino)phenyl] N-(2-chloroethyl)carbamate (CAS 42865-12-3), with molecular formula C12H16ClN3O3 and molecular weight 285.09 g/mol. IUPAC: [3-(dimethylcarbamoylamino)phenyl] N-(2-chloroethyl)carbamate.
Chemical Property Profile of [3-(dimethylcarbamoylamino)phenyl] N-(2-chloroethyl)carbamate
Property Insights of [3-(dimethylcarbamoylamino)phenyl] N-(2-chloroethyl)carbamate
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [3-(dimethylcarbamoylamino)phenyl] N-(2-chloroethyl)carbamate. The TPSA of 70.7 Ų falls within the moderate polarity range, balancing permeability and solubility for [3-(dimethylcarbamoylamino)phenyl] N-(2-chloroethyl)carbamate. Following Lipinski's Rule of Five, [3-(dimethylcarbamoylamino)phenyl] N-(2-chloroethyl)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 [3-(dimethylcarbamoylamino)phenyl] N-(2-chloroethyl)carbamate?
The CAS number of [3-(dimethylcarbamoylamino)phenyl] N-(2-chloroethyl)carbamate is 42865-12-3.
What is the molecular formula of [3-(dimethylcarbamoylamino)phenyl] N-(2-chloroethyl)carbamate?
The molecular formula of [3-(dimethylcarbamoylamino)phenyl] N-(2-chloroethyl)carbamate is C12H16ClN3O3.
What is the molecular weight of [3-(dimethylcarbamoylamino)phenyl] N-(2-chloroethyl)carbamate?
The molecular weight of [3-(dimethylcarbamoylamino)phenyl] N-(2-chloroethyl)carbamate is 285.09 g/mol.
Where can I buy [3-(dimethylcarbamoylamino)phenyl] N-(2-chloroethyl)carbamate?
You can request a quote for [3-(dimethylcarbamoylamino)phenyl] N-(2-chloroethyl)carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [3-(dimethylcarbamoylamino)phenyl] N-(2-chloroethyl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for [3-(dimethylcarbamoylamino)phenyl] N-(2-chloroethyl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.