beta-Alanine, N-(5-(acetylamino)-2-methoxyphenyl)-, methyl ester
TL;DR: beta-Alanine, N-(5-(acetylamino)-2-methoxyphenyl)-, methyl ester (CAS 65086-93-3) is a chemical compound with molecular formula C13H18N2O4 and molecular weight 266.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-(5-acetamido-2-methoxyanilino)propanoate
Also Known As: methyl 3-(5-acetamido-2-methoxyanilino)propanoate, 3'-(2-Carbomethoxyethyl)amino-4'-methoxyacetanilide, .beta.-Alanine, N-[5-(acetylamino)-2-methoxyphenyl]-, methyl ester, beta-Alanine, N-(5-(acetylamino)-2-methoxyphenyl)-, methyl ester, Methyl N-(5-(acetylamino)-2-methoxyphenyl)-beta-alaninate
| Molecular Formula | C13H18N2O4 |
|---|---|
| Molecular Weight | 266.13 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 76.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 266.12665 |
| Heavy Atoms | 19 |
| Complexity | 309.0 |
Chemical Identifiers
| CAS Number | 65086-93-3 |
|---|---|
| SMILES | CC(=O)NC1=CC(=C(C=C1)OC)NCCC(=O)OC |
| InChIKey | QYWBJEGBJDVLMJ-UHFFFAOYSA-N |
Product Overview
beta-Alanine, N-(5-(acetylamino)-2-methoxyphenyl)-, methyl ester (CAS 65086-93-3), with molecular formula C13H18N2O4 and molecular weight 266.13 g/mol. IUPAC: methyl 3-(5-acetamido-2-methoxyanilino)propanoate.
Chemical Property Profile of beta-Alanine, N-(5-(acetylamino)-2-methoxyphenyl)-, methyl ester
Property Insights of beta-Alanine, N-(5-(acetylamino)-2-methoxyphenyl)-, methyl ester
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for beta-Alanine, N-(5-(acetylamino)-2-methoxyphenyl)-, methyl 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)-, methyl ester. Following Lipinski's Rule of Five, beta-Alanine, N-(5-(acetylamino)-2-methoxyphenyl)-, methyl 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)-, methyl ester?
The CAS number of beta-Alanine, N-(5-(acetylamino)-2-methoxyphenyl)-, methyl ester is 65086-93-3.
What is the molecular formula of beta-Alanine, N-(5-(acetylamino)-2-methoxyphenyl)-, methyl ester?
The molecular formula of beta-Alanine, N-(5-(acetylamino)-2-methoxyphenyl)-, methyl ester is C13H18N2O4.
What is the molecular weight of beta-Alanine, N-(5-(acetylamino)-2-methoxyphenyl)-, methyl ester?
The molecular weight of beta-Alanine, N-(5-(acetylamino)-2-methoxyphenyl)-, methyl ester is 266.13 g/mol.
Where can I buy beta-Alanine, N-(5-(acetylamino)-2-methoxyphenyl)-, methyl ester?
You can request a quote for beta-Alanine, N-(5-(acetylamino)-2-methoxyphenyl)-, methyl 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)-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for beta-Alanine, N-(5-(acetylamino)-2-methoxyphenyl)-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.