beta-Alanine, N-(5-(acetylamino)-2-methoxyphenyl)-N-ethyl-, 2-methoxyethyl ester
TL;DR: beta-Alanine, N-(5-(acetylamino)-2-methoxyphenyl)-N-ethyl-, 2-methoxyethyl ester (CAS 42228-65-9) is a chemical compound with molecular formula C17H26N2O5 and molecular weight 338.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methoxyethyl 3-(5-acetamido-N-ethyl-2-methoxyanilino)propanoate
Also Known As: N-(5-(Acetylamino)-2-methoxyphenyl)-N-ethyl-beta-alanine, 2-methoxyethyl ester, .beta.-Alanine, N-[5-(acetylamino)-2-methoxyphenyl]-N-ethyl-, 2-methoxyethyl ester, 2-methoxyethyl 3-(5-acetamido-N-ethyl-2-methoxyanilino)propanoate, 2-METHOXYETHYL N-[5-(ACETYLAMINO)-2-METHOXYPHENYL]-N-ETHYL-BETA-ALANINATE, beta-Alanine, N-(5-(acetylamino)-2-methoxyphenyl)-N-ethyl-, 2-methoxyethyl ester
| Molecular Formula | C17H26N2O5 |
|---|---|
| Molecular Weight | 338.18 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 77.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 11 |
| Exact Mass | 338.18417 |
| Heavy Atoms | 24 |
| Complexity | 391.0 |
Chemical Identifiers
| CAS Number | 42228-65-9 |
|---|---|
| SMILES | CCN(CCC(=O)OCCOC)C1=C(C=CC(=C1)NC(=O)C)OC |
| InChIKey | JANKXSWDUFKJEY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
beta-Alanine, N-(5-(acetylamino)-2-methoxyphenyl)-N-ethyl-, 2-methoxyethyl ester (CAS 42228-65-9), with molecular formula C17H26N2O5 and molecular weight 338.18 g/mol. IUPAC: 2-methoxyethyl 3-(5-acetamido-N-ethyl-2-methoxyanilino)propanoate.
Chemical Property Profile of beta-Alanine, N-(5-(acetylamino)-2-methoxyphenyl)-N-ethyl-, 2-methoxyethyl ester
Property Insights of beta-Alanine, N-(5-(acetylamino)-2-methoxyphenyl)-N-ethyl-, 2-methoxyethyl ester
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for beta-Alanine, N-(5-(acetylamino)-2-methoxyphenyl)-N-ethyl-, 2-methoxyethyl ester. The TPSA of 77.1 Ų falls within the moderate polarity range, balancing permeability and solubility for beta-Alanine, N-(5-(acetylamino)-2-methoxyphenyl)-N-ethyl-, 2-methoxyethyl ester. Following Lipinski's Rule of Five, beta-Alanine, N-(5-(acetylamino)-2-methoxyphenyl)-N-ethyl-, 2-methoxyethyl ester has 1 hydrogen bond donor(s) and 6 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)-N-ethyl-, 2-methoxyethyl ester?
The CAS number of beta-Alanine, N-(5-(acetylamino)-2-methoxyphenyl)-N-ethyl-, 2-methoxyethyl ester is 42228-65-9.
What is the molecular formula of beta-Alanine, N-(5-(acetylamino)-2-methoxyphenyl)-N-ethyl-, 2-methoxyethyl ester?
The molecular formula of beta-Alanine, N-(5-(acetylamino)-2-methoxyphenyl)-N-ethyl-, 2-methoxyethyl ester is C17H26N2O5.
What is the molecular weight of beta-Alanine, N-(5-(acetylamino)-2-methoxyphenyl)-N-ethyl-, 2-methoxyethyl ester?
The molecular weight of beta-Alanine, N-(5-(acetylamino)-2-methoxyphenyl)-N-ethyl-, 2-methoxyethyl ester is 338.18 g/mol.
Where can I buy beta-Alanine, N-(5-(acetylamino)-2-methoxyphenyl)-N-ethyl-, 2-methoxyethyl ester?
You can request a quote for beta-Alanine, N-(5-(acetylamino)-2-methoxyphenyl)-N-ethyl-, 2-methoxyethyl 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)-N-ethyl-, 2-methoxyethyl ester?
Yes, KEHONG BIO provides custom synthesis services for beta-Alanine, N-(5-(acetylamino)-2-methoxyphenyl)-N-ethyl-, 2-methoxyethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.