![Methyl 3-{[(3-chloroanilino)carbonyl]amino}propanoate structure](/static/products/861/861212-79-5.png)
Methyl 3-{[(3-chloroanilino)carbonyl]amino}propanoate
TL;DR: Methyl 3-{[(3-chloroanilino)carbonyl]amino}propanoate (CAS 861212-79-5) 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 3-[(3-chlorophenyl)carbamoylamino]propanoate
Also Known As: methyl 3-{[(3-chloroanilino)carbonyl]amino}propanoate, Methyl 3-[(3-chlorophenyl)carbamoylamino]propanoate, methyl 3-{[(3-chlorophenyl)carbamoyl]amino}propanoate, 3R-1533, Methyl N-[(3-chlorophenyl)carbamoyl]-beta-alaninate
| Molecular Formula | C11H13ClN2O3 |
|---|---|
| Molecular Weight | 256.06 g/mol |
| LogP | 2.0246 |
| 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 | 861212-79-5 |
|---|---|
| SMILES | COC(=O)CCNC(=O)NC1=CC(=CC=C1)Cl |
Product Overview
Methyl 3-{[(3-chloroanilino)carbonyl]amino}propanoate (CAS 861212-79-5), with molecular formula C11H13ClN2O3 and molecular weight 256.06 g/mol. IUPAC: methyl 3-[(3-chlorophenyl)carbamoylamino]propanoate.
Chemical Property Profile of Methyl 3-{[(3-chloroanilino)carbonyl]amino}propanoate
Property Insights of Methyl 3-{[(3-chloroanilino)carbonyl]amino}propanoate
The XLogP value of 2.0246 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-{[(3-chloroanilino)carbonyl]amino}propanoate. The TPSA of 67.43 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3-{[(3-chloroanilino)carbonyl]amino}propanoate. Following Lipinski's Rule of Five, Methyl 3-{[(3-chloroanilino)carbonyl]amino}propanoate 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 3-{[(3-chloroanilino)carbonyl]amino}propanoate?
The CAS number of Methyl 3-{[(3-chloroanilino)carbonyl]amino}propanoate is 861212-79-5.
What is the molecular formula of Methyl 3-{[(3-chloroanilino)carbonyl]amino}propanoate?
The molecular formula of Methyl 3-{[(3-chloroanilino)carbonyl]amino}propanoate is C11H13ClN2O3.
What is the molecular weight of Methyl 3-{[(3-chloroanilino)carbonyl]amino}propanoate?
The molecular weight of Methyl 3-{[(3-chloroanilino)carbonyl]amino}propanoate is 256.06 g/mol.
Where can I buy Methyl 3-{[(3-chloroanilino)carbonyl]amino}propanoate?
You can request a quote for Methyl 3-{[(3-chloroanilino)carbonyl]amino}propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-{[(3-chloroanilino)carbonyl]amino}propanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-{[(3-chloroanilino)carbonyl]amino}propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.