Butanedioic acid, 1-(2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl) ester
TL;DR: Butanedioic acid, 1-(2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl) ester (CAS 13182-87-1) is a chemical compound with molecular formula C10H13N3O6 and molecular weight 271.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2-(2-methyl-5-nitroimidazol-1-yl)ethoxy]-4-oxobutanoic acid
Also Known As: Metronidazole monosuccinate, MMS ester, Metronidazolmonosuccinat, 4-[2-(2-methyl-5-nitro-1h-imidazol-1-yl)ethoxy]-4-oxobutanoic acid, METRONIDAZOLE HEMISUCCINATE
| Molecular Formula | C10H13N3O6 |
|---|---|
| Molecular Weight | 271.08 g/mol |
| LogP | -0.3 |
| Topological Polar Surface Area | 127.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 271.08044 |
| Heavy Atoms | 19 |
| Complexity | 356.0 |
Chemical Identifiers
| CAS Number | 13182-87-1 |
|---|---|
| SMILES | CC1=NC=C(N1CCOC(=O)CCC(=O)O)[N+](=O)[O-] |
| InChIKey | APPATXNXXOVPAY-UHFFFAOYSA-N |
Product Overview
Butanedioic acid, 1-(2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl) ester (CAS 13182-87-1), with molecular formula C10H13N3O6 and molecular weight 271.08 g/mol. IUPAC: 4-[2-(2-methyl-5-nitroimidazol-1-yl)ethoxy]-4-oxobutanoic acid.
Chemical Property Profile of Butanedioic acid, 1-(2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl) ester
Property Insights of Butanedioic acid, 1-(2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl) ester
The XLogP value of -0.3 indicates that Butanedioic acid, 1-(2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl) ester is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 127.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Butanedioic acid, 1-(2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl) ester. Following Lipinski's Rule of Five, Butanedioic acid, 1-(2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl) ester has 1 hydrogen bond donor(s) and 7 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 Butanedioic acid, 1-(2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl) ester?
The CAS number of Butanedioic acid, 1-(2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl) ester is 13182-87-1.
What is the molecular formula of Butanedioic acid, 1-(2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl) ester?
The molecular formula of Butanedioic acid, 1-(2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl) ester is C10H13N3O6.
What is the molecular weight of Butanedioic acid, 1-(2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl) ester?
The molecular weight of Butanedioic acid, 1-(2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl) ester is 271.08 g/mol.
Where can I buy Butanedioic acid, 1-(2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl) ester?
You can request a quote for Butanedioic acid, 1-(2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl) ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butanedioic acid, 1-(2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl) ester?
Yes, KEHONG BIO provides custom synthesis services for Butanedioic acid, 1-(2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.