beta-Alanine, N-(5-(acetylamino)-2-methoxyphenyl)-, ethyl ester
TL;DR: beta-Alanine, N-(5-(acetylamino)-2-methoxyphenyl)-, ethyl ester (CAS 52868-49-2) is a chemical compound with molecular formula C14H20N2O4 and molecular weight 280.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-(5-acetamido-2-methoxyanilino)propanoate
Also Known As: ethyl 3-(5-acetamido-2-methoxyanilino)propanoate, ethyl n-[5-(acetylamino)-2-methoxyphenyl]-, A-alaninate, beta-Alanine, N-(5-(acetylamino)-2-methoxyphenyl)-, ethyl ester, .beta.-Alanine, N-[5-(acetylamino)-2-methoxyphenyl]-, ethyl ester
| Molecular Formula | C14H20N2O4 |
|---|---|
| Molecular Weight | 280.14 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 76.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 280.1423 |
| Heavy Atoms | 20 |
| Complexity | 322.0 |
Chemical Identifiers
| CAS Number | 52868-49-2 |
|---|---|
| SMILES | CCOC(=O)CCNC1=C(C=CC(=C1)NC(=O)C)OC |
| InChIKey | NVGTWNRISAWCBH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
beta-Alanine, N-(5-(acetylamino)-2-methoxyphenyl)-, ethyl ester (CAS 52868-49-2), with molecular formula C14H20N2O4 and molecular weight 280.14 g/mol. IUPAC: ethyl 3-(5-acetamido-2-methoxyanilino)propanoate.
Chemical Property Profile of beta-Alanine, N-(5-(acetylamino)-2-methoxyphenyl)-, ethyl ester
Property Insights of beta-Alanine, N-(5-(acetylamino)-2-methoxyphenyl)-, ethyl ester
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for beta-Alanine, N-(5-(acetylamino)-2-methoxyphenyl)-, ethyl ester. The TPSA of 76.7 Ų falls within the moderate polarity range, balancing permeability and solubility for beta-Alanine, N-(5-(acetylamino)-2-methoxyphenyl)-, ethyl ester. Following Lipinski's Rule of Five, beta-Alanine, N-(5-(acetylamino)-2-methoxyphenyl)-, ethyl ester has 2 hydrogen bond donor(s) and 5 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 beta-Alanine, N-(5-(acetylamino)-2-methoxyphenyl)-, ethyl ester?
The CAS number of beta-Alanine, N-(5-(acetylamino)-2-methoxyphenyl)-, ethyl ester is 52868-49-2.
What is the molecular formula of beta-Alanine, N-(5-(acetylamino)-2-methoxyphenyl)-, ethyl ester?
The molecular formula of beta-Alanine, N-(5-(acetylamino)-2-methoxyphenyl)-, ethyl ester is C14H20N2O4.
What is the molecular weight of beta-Alanine, N-(5-(acetylamino)-2-methoxyphenyl)-, ethyl ester?
The molecular weight of beta-Alanine, N-(5-(acetylamino)-2-methoxyphenyl)-, ethyl ester is 280.14 g/mol.
Where can I buy beta-Alanine, N-(5-(acetylamino)-2-methoxyphenyl)-, ethyl ester?
You can request a quote for beta-Alanine, N-(5-(acetylamino)-2-methoxyphenyl)-, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for beta-Alanine, N-(5-(acetylamino)-2-methoxyphenyl)-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for beta-Alanine, N-(5-(acetylamino)-2-methoxyphenyl)-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.