(2S,3R)-Methyl 2-acetamido-3-hydroxybutanoate
TL;DR: (2S,3R)-Methyl 2-acetamido-3-hydroxybutanoate (CAS 2458-78-8) is a chemical compound with molecular formula C7H13NO4 and molecular weight 175.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (2S,3R)-2-acetamido-3-hydroxybutanoate
Also Known As: Acetyl-L-threonine Methyl ester, (2S,3R)-Methyl 2-acetamido-3-hydroxybutanoate, Methyl acetyl-L-threoninate, N-Acetyl-L-threonine methyl ester, L-Threonine, N-acetyl-,methyl ester
| Molecular Formula | C7H13NO4 |
|---|---|
| Molecular Weight | 175.08 g/mol |
| LogP | -0.9551 |
| Topological Polar Surface Area | 75.63 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 175.08446 |
| Heavy Atoms | 12 |
| Complexity | 178.2452 |
Chemical Identifiers
| CAS Number | 2458-78-8 |
|---|---|
| SMILES | C[C@H]([C@@H](C(=O)OC)NC(=O)C)O |
Product Overview
(2S,3R)-Methyl 2-acetamido-3-hydroxybutanoate (CAS 2458-78-8), with molecular formula C7H13NO4 and molecular weight 175.08 g/mol. IUPAC: methyl (2S,3R)-2-acetamido-3-hydroxybutanoate.
Chemical Property Profile of (2S,3R)-Methyl 2-acetamido-3-hydroxybutanoate
Property Insights of (2S,3R)-Methyl 2-acetamido-3-hydroxybutanoate
The XLogP value of -0.9551 indicates that (2S,3R)-Methyl 2-acetamido-3-hydroxybutanoate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 75.63 Ų falls within the moderate polarity range, balancing permeability and solubility for (2S,3R)-Methyl 2-acetamido-3-hydroxybutanoate. Following Lipinski's Rule of Five, (2S,3R)-Methyl 2-acetamido-3-hydroxybutanoate 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 (2S,3R)-Methyl 2-acetamido-3-hydroxybutanoate?
The CAS number of (2S,3R)-Methyl 2-acetamido-3-hydroxybutanoate is 2458-78-8.
What is the molecular formula of (2S,3R)-Methyl 2-acetamido-3-hydroxybutanoate?
The molecular formula of (2S,3R)-Methyl 2-acetamido-3-hydroxybutanoate is C7H13NO4.
What is the molecular weight of (2S,3R)-Methyl 2-acetamido-3-hydroxybutanoate?
The molecular weight of (2S,3R)-Methyl 2-acetamido-3-hydroxybutanoate is 175.08 g/mol.
Where can I buy (2S,3R)-Methyl 2-acetamido-3-hydroxybutanoate?
You can request a quote for (2S,3R)-Methyl 2-acetamido-3-hydroxybutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2S,3R)-Methyl 2-acetamido-3-hydroxybutanoate?
Yes, KEHONG BIO provides custom synthesis services for (2S,3R)-Methyl 2-acetamido-3-hydroxybutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.