(S)-3-Benzamido-4-methoxy-4-oxobutanoic acid
TL;DR: (S)-3-Benzamido-4-methoxy-4-oxobutanoic acid (CAS 82933-21-9) is a chemical compound with molecular formula C12H13NO5 and molecular weight 251.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S)-3-benzamido-4-methoxy-4-oxobutanoic acid
Also Known As: BZ-ASP-OME, (S)-3-Benzamido-4-methoxy-4-oxobutanoic acid, 6482AH, (3S)-3-benzamido-4-methoxy-4-oxobutanoic acid, Benzoyl-L-aspartic acid alpha-methyl ester
| Molecular Formula | C12H13NO5 |
|---|---|
| Molecular Weight | 251.08 g/mol |
| LogP | 0.4327 |
| Topological Polar Surface Area | 92.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 251.07938 |
| Heavy Atoms | 18 |
| Complexity | 443.0408 |
Chemical Identifiers
| CAS Number | 82933-21-9 |
|---|---|
| SMILES | COC(=O)[C@H](CC(=O)O)NC(=O)C1=CC=CC=C1 |
Product Overview
(S)-3-Benzamido-4-methoxy-4-oxobutanoic acid (CAS 82933-21-9), with molecular formula C12H13NO5 and molecular weight 251.08 g/mol. IUPAC: (3S)-3-benzamido-4-methoxy-4-oxobutanoic acid.
Chemical Property Profile of (S)-3-Benzamido-4-methoxy-4-oxobutanoic acid
Property Insights of (S)-3-Benzamido-4-methoxy-4-oxobutanoic acid
The XLogP value of 0.4327 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (S)-3-Benzamido-4-methoxy-4-oxobutanoic acid. The TPSA of 92.7 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-3-Benzamido-4-methoxy-4-oxobutanoic acid. Following Lipinski's Rule of Five, (S)-3-Benzamido-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 (S)-3-Benzamido-4-methoxy-4-oxobutanoic acid?
The CAS number of (S)-3-Benzamido-4-methoxy-4-oxobutanoic acid is 82933-21-9.
What is the molecular formula of (S)-3-Benzamido-4-methoxy-4-oxobutanoic acid?
The molecular formula of (S)-3-Benzamido-4-methoxy-4-oxobutanoic acid is C12H13NO5.
What is the molecular weight of (S)-3-Benzamido-4-methoxy-4-oxobutanoic acid?
The molecular weight of (S)-3-Benzamido-4-methoxy-4-oxobutanoic acid is 251.08 g/mol.
Where can I buy (S)-3-Benzamido-4-methoxy-4-oxobutanoic acid?
You can request a quote for (S)-3-Benzamido-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 (S)-3-Benzamido-4-methoxy-4-oxobutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for (S)-3-Benzamido-4-methoxy-4-oxobutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.