beta-Alanine, N-(3-(acetylamino)phenyl)-N-(3-methoxy-3-oxopropyl)-, methyl ester
TL;DR: beta-Alanine, N-(3-(acetylamino)phenyl)-N-(3-methoxy-3-oxopropyl)-, methyl ester (CAS 61038-96-8) is a chemical compound with molecular formula C16H22N2O5 and molecular weight 322.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-(3-acetamido-N-(3-methoxy-3-oxopropyl)anilino)propanoate
Also Known As: 2-Benzyloxyphenylboronic acid, 3-[N,N-Bis(methoxycarbonylethyl)]amino-acetanilide, methyl 3-(3-acetamido-N-(3-methoxy-3-oxopropyl)anilino)propanoate, M729, 3-[N,N-bis(methoxycarbonylethyl)]aminoacetanilide
| Molecular Formula | C16H22N2O5 |
|---|---|
| Molecular Weight | 322.15 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 84.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 322.15286 |
| Heavy Atoms | 23 |
| Complexity | 393.0 |
Chemical Identifiers
| CAS Number | 61038-96-8 |
|---|---|
| SMILES | CC(=O)NC1=CC(=CC=C1)N(CCC(=O)OC)CCC(=O)OC |
| InChIKey | SXJIGSGZTVVZEB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
beta-Alanine, N-(3-(acetylamino)phenyl)-N-(3-methoxy-3-oxopropyl)-, methyl ester (CAS 61038-96-8), with molecular formula C16H22N2O5 and molecular weight 322.15 g/mol. IUPAC: methyl 3-(3-acetamido-N-(3-methoxy-3-oxopropyl)anilino)propanoate.
Chemical Property Profile of beta-Alanine, N-(3-(acetylamino)phenyl)-N-(3-methoxy-3-oxopropyl)-, methyl ester
Property Insights of beta-Alanine, N-(3-(acetylamino)phenyl)-N-(3-methoxy-3-oxopropyl)-, methyl ester
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for beta-Alanine, N-(3-(acetylamino)phenyl)-N-(3-methoxy-3-oxopropyl)-, methyl ester. The TPSA of 84.9 Ų falls within the moderate polarity range, balancing permeability and solubility for beta-Alanine, N-(3-(acetylamino)phenyl)-N-(3-methoxy-3-oxopropyl)-, methyl ester. Following Lipinski's Rule of Five, beta-Alanine, N-(3-(acetylamino)phenyl)-N-(3-methoxy-3-oxopropyl)-, methyl 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-(3-(acetylamino)phenyl)-N-(3-methoxy-3-oxopropyl)-, methyl ester?
The CAS number of beta-Alanine, N-(3-(acetylamino)phenyl)-N-(3-methoxy-3-oxopropyl)-, methyl ester is 61038-96-8.
What is the molecular formula of beta-Alanine, N-(3-(acetylamino)phenyl)-N-(3-methoxy-3-oxopropyl)-, methyl ester?
The molecular formula of beta-Alanine, N-(3-(acetylamino)phenyl)-N-(3-methoxy-3-oxopropyl)-, methyl ester is C16H22N2O5.
What is the molecular weight of beta-Alanine, N-(3-(acetylamino)phenyl)-N-(3-methoxy-3-oxopropyl)-, methyl ester?
The molecular weight of beta-Alanine, N-(3-(acetylamino)phenyl)-N-(3-methoxy-3-oxopropyl)-, methyl ester is 322.15 g/mol.
Where can I buy beta-Alanine, N-(3-(acetylamino)phenyl)-N-(3-methoxy-3-oxopropyl)-, methyl ester?
You can request a quote for beta-Alanine, N-(3-(acetylamino)phenyl)-N-(3-methoxy-3-oxopropyl)-, 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-(3-(acetylamino)phenyl)-N-(3-methoxy-3-oxopropyl)-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for beta-Alanine, N-(3-(acetylamino)phenyl)-N-(3-methoxy-3-oxopropyl)-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.