(3S)-3-acetamido-4-methoxy-4-oxobutanoic acid
TL;DR: (3S)-3-acetamido-4-methoxy-4-oxobutanoic acid (CAS 4910-47-8) is a chemical compound with molecular formula C7H11NO5 and molecular weight 189.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S)-3-acetamido-4-methoxy-4-oxobutanoic acid
Also Known As: (3S)-3-acetamido-4-methoxy-4-oxobutanoic acid, Acetyl-L-aspartic acid a-methyl ester, N-acetyl-L-aspartic acid methyl ester, 6078AH, N-Acetylaspartic acid 1-methyl ester
| Molecular Formula | C7H11NO5 |
|---|---|
| Molecular Weight | 189.06 g/mol |
| LogP | -0.8612 |
| Topological Polar Surface Area | 92.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 189.06372 |
| Heavy Atoms | 13 |
| Complexity | 208.92279 |
Chemical Identifiers
| CAS Number | 4910-47-8 |
|---|---|
| SMILES | CC(=O)N[C@@H](CC(=O)O)C(=O)OC |
Product Overview
(3S)-3-acetamido-4-methoxy-4-oxobutanoic acid (CAS 4910-47-8), with molecular formula C7H11NO5 and molecular weight 189.06 g/mol. IUPAC: (3S)-3-acetamido-4-methoxy-4-oxobutanoic acid.
Chemical Property Profile of (3S)-3-acetamido-4-methoxy-4-oxobutanoic acid
Property Insights of (3S)-3-acetamido-4-methoxy-4-oxobutanoic acid
The XLogP value of -0.8612 indicates that (3S)-3-acetamido-4-methoxy-4-oxobutanoic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 92.7 Ų falls within the moderate polarity range, balancing permeability and solubility for (3S)-3-acetamido-4-methoxy-4-oxobutanoic acid. Following Lipinski's Rule of Five, (3S)-3-acetamido-4-methoxy-4-oxobutanoic acid has 2 hydrogen bond donor(s) and 4 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 (3S)-3-acetamido-4-methoxy-4-oxobutanoic acid?
The CAS number of (3S)-3-acetamido-4-methoxy-4-oxobutanoic acid is 4910-47-8.
What is the molecular formula of (3S)-3-acetamido-4-methoxy-4-oxobutanoic acid?
The molecular formula of (3S)-3-acetamido-4-methoxy-4-oxobutanoic acid is C7H11NO5.
What is the molecular weight of (3S)-3-acetamido-4-methoxy-4-oxobutanoic acid?
The molecular weight of (3S)-3-acetamido-4-methoxy-4-oxobutanoic acid is 189.06 g/mol.
Where can I buy (3S)-3-acetamido-4-methoxy-4-oxobutanoic acid?
You can request a quote for (3S)-3-acetamido-4-methoxy-4-oxobutanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3S)-3-acetamido-4-methoxy-4-oxobutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for (3S)-3-acetamido-4-methoxy-4-oxobutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.