2-Propenoic acid, 3-(1-methyl-2-nitro-1H-imidazol-5-yl)-, methyl ester, (E)-
TL;DR: 2-Propenoic acid, 3-(1-methyl-2-nitro-1H-imidazol-5-yl)-, methyl ester, (E)- (CAS 62143-85-5) is a chemical compound with molecular formula C8H9N3O4 and molecular weight 211.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (E)-3-(3-methyl-2-nitroimidazol-4-yl)prop-2-enoate
Also Known As: 5-25-04-00205 (Beilstein Handbook Reference), 2-Propenoic acid, 3-(1-methyl-2-nitro-1H-imidazol-5-yl)-, methyl ester, (E)-, Methyl (E)-3-(1-methyl-2-nitro-1H-imidazol-5-yl)-2-propenoate, (E)-3-(1-Methyl-2-nitro-1H-imidazol-5-yl)-2-propenoic acid methyl ester, methyl (E)-3-(3-methyl-2-nitroimidazol-4-yl)prop-2-enoate
| Molecular Formula | C8H9N3O4 |
|---|---|
| Molecular Weight | 211.06 g/mol |
| LogP | 0.5145 |
| Topological Polar Surface Area | 87.26 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 211.05931 |
| Heavy Atoms | 15 |
| Complexity | 421.5213 |
Chemical Identifiers
| CAS Number | 62143-85-5 |
|---|---|
| SMILES | CN1C(=CN=C1[N+](=O)[O-])/C=C/C(=O)OC |
Product Overview
2-Propenoic acid, 3-(1-methyl-2-nitro-1H-imidazol-5-yl)-, methyl ester, (E)- (CAS 62143-85-5), with molecular formula C8H9N3O4 and molecular weight 211.06 g/mol. IUPAC: methyl (E)-3-(3-methyl-2-nitroimidazol-4-yl)prop-2-enoate.
Chemical Property Profile of 2-Propenoic acid, 3-(1-methyl-2-nitro-1H-imidazol-5-yl)-, methyl ester, (E)-
Property Insights of 2-Propenoic acid, 3-(1-methyl-2-nitro-1H-imidazol-5-yl)-, methyl ester, (E)-
The XLogP value of 0.5145 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Propenoic acid, 3-(1-methyl-2-nitro-1H-imidazol-5-yl)-, methyl ester, (E)-. The TPSA of 87.26 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Propenoic acid, 3-(1-methyl-2-nitro-1H-imidazol-5-yl)-, methyl ester, (E)-. Following Lipinski's Rule of Five, 2-Propenoic acid, 3-(1-methyl-2-nitro-1H-imidazol-5-yl)-, methyl ester, (E)- has 0 hydrogen bond donor(s) and 5 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 2-Propenoic acid, 3-(1-methyl-2-nitro-1H-imidazol-5-yl)-, methyl ester, (E)-?
The CAS number of 2-Propenoic acid, 3-(1-methyl-2-nitro-1H-imidazol-5-yl)-, methyl ester, (E)- is 62143-85-5.
What is the molecular formula of 2-Propenoic acid, 3-(1-methyl-2-nitro-1H-imidazol-5-yl)-, methyl ester, (E)-?
The molecular formula of 2-Propenoic acid, 3-(1-methyl-2-nitro-1H-imidazol-5-yl)-, methyl ester, (E)- is C8H9N3O4.
What is the molecular weight of 2-Propenoic acid, 3-(1-methyl-2-nitro-1H-imidazol-5-yl)-, methyl ester, (E)-?
The molecular weight of 2-Propenoic acid, 3-(1-methyl-2-nitro-1H-imidazol-5-yl)-, methyl ester, (E)- is 211.06 g/mol.
Where can I buy 2-Propenoic acid, 3-(1-methyl-2-nitro-1H-imidazol-5-yl)-, methyl ester, (E)-?
You can request a quote for 2-Propenoic acid, 3-(1-methyl-2-nitro-1H-imidazol-5-yl)-, methyl ester, (E)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Propenoic acid, 3-(1-methyl-2-nitro-1H-imidazol-5-yl)-, methyl ester, (E)-?
Yes, KEHONG BIO provides custom synthesis services for 2-Propenoic acid, 3-(1-methyl-2-nitro-1H-imidazol-5-yl)-, methyl ester, (E)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.