5-Amino-1-(1H-benzoimidazol-2-yl)-1H-pyrazole-4-carboxylic acid ethyl ester
TL;DR: 5-Amino-1-(1H-benzoimidazol-2-yl)-1H-pyrazole-4-carboxylic acid ethyl ester (CAS 58113-07-8) is a chemical compound with molecular formula C13H13N5O2 and molecular weight 271.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-amino-1-(1H-benzimidazol-2-yl)pyrazole-4-carboxylate
Also Known As: 5-Amino-1-(1H-benzoimidazol-2-yl)-1H-pyrazole-4-carboxylic acid ethyl ester, BAS 00841492, ethyl 5-amino-1-(1H-benzimidazol-2-yl)pyrazole-4-carboxylate, ethyl 5-amino-1-(1H-benzo[d]imidazol-2-yl)-1H-pyrazole-4-carboxylate, AE-641/12113081
| Molecular Formula | C13H13N5O2 |
|---|---|
| Molecular Weight | 271.11 g/mol |
| LogP | 1.5075 |
| Topological Polar Surface Area | 98.82 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 271.10693 |
| Heavy Atoms | 20 |
| Complexity | 741.0134 |
Chemical Identifiers
| CAS Number | 58113-07-8 |
|---|---|
| SMILES | CCOC(=O)C1=C(N(N=C1)C2=NC3=CC=CC=C3N2)N |
Product Overview
5-Amino-1-(1H-benzoimidazol-2-yl)-1H-pyrazole-4-carboxylic acid ethyl ester (CAS 58113-07-8), with molecular formula C13H13N5O2 and molecular weight 271.11 g/mol. IUPAC: ethyl 5-amino-1-(1H-benzimidazol-2-yl)pyrazole-4-carboxylate.
Chemical Property Profile of 5-Amino-1-(1H-benzoimidazol-2-yl)-1H-pyrazole-4-carboxylic acid ethyl ester
Property Insights of 5-Amino-1-(1H-benzoimidazol-2-yl)-1H-pyrazole-4-carboxylic acid ethyl ester
The XLogP value of 1.5075 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Amino-1-(1H-benzoimidazol-2-yl)-1H-pyrazole-4-carboxylic acid ethyl ester. The TPSA of 98.82 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Amino-1-(1H-benzoimidazol-2-yl)-1H-pyrazole-4-carboxylic acid ethyl ester. Following Lipinski's Rule of Five, 5-Amino-1-(1H-benzoimidazol-2-yl)-1H-pyrazole-4-carboxylic acid ethyl ester has 2 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 5-Amino-1-(1H-benzoimidazol-2-yl)-1H-pyrazole-4-carboxylic acid ethyl ester?
The CAS number of 5-Amino-1-(1H-benzoimidazol-2-yl)-1H-pyrazole-4-carboxylic acid ethyl ester is 58113-07-8.
What is the molecular formula of 5-Amino-1-(1H-benzoimidazol-2-yl)-1H-pyrazole-4-carboxylic acid ethyl ester?
The molecular formula of 5-Amino-1-(1H-benzoimidazol-2-yl)-1H-pyrazole-4-carboxylic acid ethyl ester is C13H13N5O2.
What is the molecular weight of 5-Amino-1-(1H-benzoimidazol-2-yl)-1H-pyrazole-4-carboxylic acid ethyl ester?
The molecular weight of 5-Amino-1-(1H-benzoimidazol-2-yl)-1H-pyrazole-4-carboxylic acid ethyl ester is 271.11 g/mol.
Where can I buy 5-Amino-1-(1H-benzoimidazol-2-yl)-1H-pyrazole-4-carboxylic acid ethyl ester?
You can request a quote for 5-Amino-1-(1H-benzoimidazol-2-yl)-1H-pyrazole-4-carboxylic acid ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Amino-1-(1H-benzoimidazol-2-yl)-1H-pyrazole-4-carboxylic acid ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 5-Amino-1-(1H-benzoimidazol-2-yl)-1H-pyrazole-4-carboxylic acid ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.