methyl (2S,3S)-3-hydroxy-2-(phenylcarbonylamino)butanoate
TL;DR: methyl (2S,3S)-3-hydroxy-2-(phenylcarbonylamino)butanoate (CAS 267653-05-4) is a chemical compound with molecular formula C12H15NO4 and molecular weight 237.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (2S,3S)-2-benzamido-3-hydroxybutanoate
Also Known As: methyl N-benzoyl-allo-threoninate, N-benzoyl-(2S,3S)-threonine methyl ester, methyl (2S,3S)-2-benzamido-3-hydroxybutanoate, methyl (2S,3S)-3-hydroxy-2-(phenylcarbonylamino)butanoate
| Molecular Formula | C12H15NO4 |
|---|---|
| Molecular Weight | 237.10 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 75.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 237.10011 |
| Heavy Atoms | 17 |
| Complexity | 274.0 |
Chemical Identifiers
| CAS Number | 267653-05-4 |
|---|---|
| SMILES | C[C@@H]([C@@H](C(=O)OC)NC(=O)C1=CC=CC=C1)O |
| InChIKey | KHOWDUMYRBCHAC-WPRPVWTQSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
methyl (2S,3S)-3-hydroxy-2-(phenylcarbonylamino)butanoate (CAS 267653-05-4), with molecular formula C12H15NO4 and molecular weight 237.10 g/mol. IUPAC: methyl (2S,3S)-2-benzamido-3-hydroxybutanoate.
Chemical Property Profile of methyl (2S,3S)-3-hydroxy-2-(phenylcarbonylamino)butanoate
Property Insights of methyl (2S,3S)-3-hydroxy-2-(phenylcarbonylamino)butanoate
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl (2S,3S)-3-hydroxy-2-(phenylcarbonylamino)butanoate. The TPSA of 75.6 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl (2S,3S)-3-hydroxy-2-(phenylcarbonylamino)butanoate. Following Lipinski's Rule of Five, methyl (2S,3S)-3-hydroxy-2-(phenylcarbonylamino)butanoate 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 methyl (2S,3S)-3-hydroxy-2-(phenylcarbonylamino)butanoate?
The CAS number of methyl (2S,3S)-3-hydroxy-2-(phenylcarbonylamino)butanoate is 267653-05-4.
What is the molecular formula of methyl (2S,3S)-3-hydroxy-2-(phenylcarbonylamino)butanoate?
The molecular formula of methyl (2S,3S)-3-hydroxy-2-(phenylcarbonylamino)butanoate is C12H15NO4.
What is the molecular weight of methyl (2S,3S)-3-hydroxy-2-(phenylcarbonylamino)butanoate?
The molecular weight of methyl (2S,3S)-3-hydroxy-2-(phenylcarbonylamino)butanoate is 237.10 g/mol.
Where can I buy methyl (2S,3S)-3-hydroxy-2-(phenylcarbonylamino)butanoate?
You can request a quote for methyl (2S,3S)-3-hydroxy-2-(phenylcarbonylamino)butanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl (2S,3S)-3-hydroxy-2-(phenylcarbonylamino)butanoate?
Yes, KEHONG BIO provides custom synthesis services for methyl (2S,3S)-3-hydroxy-2-(phenylcarbonylamino)butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.