methyl (2S)-2-acetamido-3-(1-methyl-5-nitroimidazol-4-yl)propanoate
TL;DR: methyl (2S)-2-acetamido-3-(1-methyl-5-nitroimidazol-4-yl)propanoate (CAS 107089-37-2) is a chemical compound with molecular formula C10H14N4O5 and molecular weight 270.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (2S)-2-acetamido-3-(1-methyl-5-nitroimidazol-4-yl)propanoate
Also Known As: Methyl N-acetyl-1-methyl-5-nitro-L-histidinate, N3-Methyl-N-acetyl-4-nitrohistidine methyl ester, methyl (2S)-2-acetamido-3-(1-methyl-5-nitroimidazol-4-yl)propanoate
| Molecular Formula | C10H14N4O5 |
|---|---|
| Molecular Weight | 270.10 g/mol |
| LogP | -0.3 |
| Topological Polar Surface Area | 119.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 270.0964 |
| Heavy Atoms | 19 |
| Complexity | 369.0 |
Chemical Identifiers
| CAS Number | 107089-37-2 |
|---|---|
| SMILES | CC(=O)N[C@@H](CC1=C(N(C=N1)C)[N+](=O)[O-])C(=O)OC |
| InChIKey | NAAFMFAJWVABNF-QMMMGPOBSA-N |
Product Overview
methyl (2S)-2-acetamido-3-(1-methyl-5-nitroimidazol-4-yl)propanoate (CAS 107089-37-2), with molecular formula C10H14N4O5 and molecular weight 270.10 g/mol. IUPAC: methyl (2S)-2-acetamido-3-(1-methyl-5-nitroimidazol-4-yl)propanoate.
Chemical Property Profile of methyl (2S)-2-acetamido-3-(1-methyl-5-nitroimidazol-4-yl)propanoate
Property Insights of methyl (2S)-2-acetamido-3-(1-methyl-5-nitroimidazol-4-yl)propanoate
The XLogP value of -0.3 indicates that methyl (2S)-2-acetamido-3-(1-methyl-5-nitroimidazol-4-yl)propanoate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 119.0 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl (2S)-2-acetamido-3-(1-methyl-5-nitroimidazol-4-yl)propanoate. Following Lipinski's Rule of Five, methyl (2S)-2-acetamido-3-(1-methyl-5-nitroimidazol-4-yl)propanoate has 1 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 (2S)-2-acetamido-3-(1-methyl-5-nitroimidazol-4-yl)propanoate?
The CAS number of methyl (2S)-2-acetamido-3-(1-methyl-5-nitroimidazol-4-yl)propanoate is 107089-37-2.
What is the molecular formula of methyl (2S)-2-acetamido-3-(1-methyl-5-nitroimidazol-4-yl)propanoate?
The molecular formula of methyl (2S)-2-acetamido-3-(1-methyl-5-nitroimidazol-4-yl)propanoate is C10H14N4O5.
What is the molecular weight of methyl (2S)-2-acetamido-3-(1-methyl-5-nitroimidazol-4-yl)propanoate?
The molecular weight of methyl (2S)-2-acetamido-3-(1-methyl-5-nitroimidazol-4-yl)propanoate is 270.10 g/mol.
Where can I buy methyl (2S)-2-acetamido-3-(1-methyl-5-nitroimidazol-4-yl)propanoate?
You can request a quote for methyl (2S)-2-acetamido-3-(1-methyl-5-nitroimidazol-4-yl)propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl (2S)-2-acetamido-3-(1-methyl-5-nitroimidazol-4-yl)propanoate?
Yes, KEHONG BIO provides custom synthesis services for methyl (2S)-2-acetamido-3-(1-methyl-5-nitroimidazol-4-yl)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.