![2-[4-(2-Chloroethylcarbamoylamino)phenyl]acetic acid structure](/static/products/1392/139214-11-2.webp)
2-[4-(2-Chloroethylcarbamoylamino)phenyl]acetic acid
TL;DR: 2-[4-(2-Chloroethylcarbamoylamino)phenyl]acetic acid (CAS 139214-11-2) 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.
2-[4-(2-chloroethylcarbamoylamino)phenyl]acetic acid
Also Known As: CMLWFCUAXGSMBB-UHFFFAOYSA, KST-1A1274, (4-{[(2-chloroethyl)carbamoyl]amino}phenyl)acetic acid, 2-[4-(2-chloroethylcarbamoylamino)phenyl]acetic acid, p-(3-(2-Chloroethyl)ureido)phenylacetic Acid
| Molecular Formula | C11H13ClN2O3 |
|---|---|
| Molecular Weight | 256.06 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 78.4 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 256.06146 |
| Heavy Atoms | 17 |
| Complexity | 265.0 |
Chemical Identifiers
| CAS Number | 139214-11-2 |
|---|---|
| SMILES | C1=CC(=CC=C1CC(=O)O)NC(=O)NCCCl |
| InChIKey | AFIDABFWFCTLLC-UHFFFAOYSA-N |
Product Overview
2-[4-(2-Chloroethylcarbamoylamino)phenyl]acetic acid (CAS 139214-11-2), with molecular formula C11H13ClN2O3 and molecular weight 256.06 g/mol. IUPAC: 2-[4-(2-chloroethylcarbamoylamino)phenyl]acetic acid.
Chemical Property Profile of 2-[4-(2-Chloroethylcarbamoylamino)phenyl]acetic acid
Property Insights of 2-[4-(2-Chloroethylcarbamoylamino)phenyl]acetic acid
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[4-(2-Chloroethylcarbamoylamino)phenyl]acetic acid. The TPSA of 78.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[4-(2-Chloroethylcarbamoylamino)phenyl]acetic acid. Following Lipinski's Rule of Five, 2-[4-(2-Chloroethylcarbamoylamino)phenyl]acetic acid has 3 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 2-[4-(2-Chloroethylcarbamoylamino)phenyl]acetic acid?
The CAS number of 2-[4-(2-Chloroethylcarbamoylamino)phenyl]acetic acid is 139214-11-2.
What is the molecular formula of 2-[4-(2-Chloroethylcarbamoylamino)phenyl]acetic acid?
The molecular formula of 2-[4-(2-Chloroethylcarbamoylamino)phenyl]acetic acid is C11H13ClN2O3.
What is the molecular weight of 2-[4-(2-Chloroethylcarbamoylamino)phenyl]acetic acid?
The molecular weight of 2-[4-(2-Chloroethylcarbamoylamino)phenyl]acetic acid is 256.06 g/mol.
Where can I buy 2-[4-(2-Chloroethylcarbamoylamino)phenyl]acetic acid?
You can request a quote for 2-[4-(2-Chloroethylcarbamoylamino)phenyl]acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[4-(2-Chloroethylcarbamoylamino)phenyl]acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[4-(2-Chloroethylcarbamoylamino)phenyl]acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.