Methyl threo-beta-hydroxy-4-nitro-3-phenyl-DL-alaninate
TL;DR: Methyl threo-beta-hydroxy-4-nitro-3-phenyl-DL-alaninate (CAS 15917-27-8) is a chemical compound with molecular formula C10H12N2O5 and molecular weight 240.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (2S,3R)-2-amino-3-hydroxy-3-(4-nitrophenyl)propanoate
Also Known As: EINECS 289-138-2, EINECS 240-059-1, Methyl threo-beta-hydroxy-4-nitro-3-phenyl-DL-alaninate, Methyl threo-beta-hydroxy-4-nitro-3-phenyl-L-alaninate, methyl (2S,3R)-2-amino-3-hydroxy-3-(4-nitrophenyl)propanoate
| Molecular Formula | C10H12N2O5 |
|---|---|
| Molecular Weight | 240.07 g/mol |
| LogP | 0.1285 |
| Topological Polar Surface Area | 115.69 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 240.07462 |
| Heavy Atoms | 17 |
| Complexity | 417.20935 |
Chemical Identifiers
| CAS Number | 15917-27-8 |
|---|---|
| SMILES | COC(=O)[C@H]([C@@H](C1=CC=C(C=C1)[N+](=O)[O-])O)N |
Product Overview
Methyl threo-beta-hydroxy-4-nitro-3-phenyl-DL-alaninate (CAS 15917-27-8), with molecular formula C10H12N2O5 and molecular weight 240.07 g/mol. IUPAC: methyl (2S,3R)-2-amino-3-hydroxy-3-(4-nitrophenyl)propanoate.
Chemical Property Profile of Methyl threo-beta-hydroxy-4-nitro-3-phenyl-DL-alaninate
Property Insights of Methyl threo-beta-hydroxy-4-nitro-3-phenyl-DL-alaninate
The XLogP value of 0.1285 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl threo-beta-hydroxy-4-nitro-3-phenyl-DL-alaninate. The TPSA of 115.69 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl threo-beta-hydroxy-4-nitro-3-phenyl-DL-alaninate. Following Lipinski's Rule of Five, Methyl threo-beta-hydroxy-4-nitro-3-phenyl-DL-alaninate has 2 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 Methyl threo-beta-hydroxy-4-nitro-3-phenyl-DL-alaninate?
The CAS number of Methyl threo-beta-hydroxy-4-nitro-3-phenyl-DL-alaninate is 15917-27-8.
What is the molecular formula of Methyl threo-beta-hydroxy-4-nitro-3-phenyl-DL-alaninate?
The molecular formula of Methyl threo-beta-hydroxy-4-nitro-3-phenyl-DL-alaninate is C10H12N2O5.
What is the molecular weight of Methyl threo-beta-hydroxy-4-nitro-3-phenyl-DL-alaninate?
The molecular weight of Methyl threo-beta-hydroxy-4-nitro-3-phenyl-DL-alaninate is 240.07 g/mol.
Where can I buy Methyl threo-beta-hydroxy-4-nitro-3-phenyl-DL-alaninate?
You can request a quote for Methyl threo-beta-hydroxy-4-nitro-3-phenyl-DL-alaninate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl threo-beta-hydroxy-4-nitro-3-phenyl-DL-alaninate?
Yes, KEHONG BIO provides custom synthesis services for Methyl threo-beta-hydroxy-4-nitro-3-phenyl-DL-alaninate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.