A2997/0126292
TL;DR: A2997/0126292 (CAS 894526-40-0) is a chemical compound with molecular formula C17H21N3O4 and molecular weight 331.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-amino-5-(4-methoxyphenyl)-1-(2-methylpropanoyl)pyrazole-4-carboxylate
Also Known As: A2997/0126292, ETHYL 3-AMINO-1-ISOBUTYRYL-5-(4-METHOXYPHENYL)-1H-PYRAZOLE-4-CARBOXYLATE, 1H-Pyrazole-4-carboxylic acid, 3-amino-1-isobutyryl-5-(4-methoxyphenyl)-, ethyl ester, 3-Amino-1-isobutyryl-5-(4-methoxy-phenyl)-1H-pyrazole-4-carboxylic acid ethyl ester, ethyl 3-amino-5-(4-methoxyphenyl)-1-(2-methylpropanoyl)-1H-pyrazole-4-carboxylate
| Molecular Formula | C17H21N3O4 |
|---|---|
| Molecular Weight | 331.15 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 96.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 331.1532 |
| Heavy Atoms | 24 |
| Complexity | 449.0 |
Chemical Identifiers
| CAS Number | 894526-40-0 |
|---|---|
| SMILES | CCOC(=O)C1=C(N(N=C1N)C(=O)C(C)C)C2=CC=C(C=C2)OC |
| InChIKey | UIGODPXDWBZFNY-UHFFFAOYSA-N |
Product Overview
A2997/0126292 (CAS 894526-40-0), with molecular formula C17H21N3O4 and molecular weight 331.15 g/mol. IUPAC: ethyl 3-amino-5-(4-methoxyphenyl)-1-(2-methylpropanoyl)pyrazole-4-carboxylate.
Chemical Property Profile of A2997/0126292
Property Insights of A2997/0126292
The XLogP value of 3.2 indicates that A2997/0126292 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.4 Ų falls within the moderate polarity range, balancing permeability and solubility for A2997/0126292. Following Lipinski's Rule of Five, A2997/0126292 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 A2997/0126292?
The CAS number of A2997/0126292 is 894526-40-0.
What is the molecular formula of A2997/0126292?
The molecular formula of A2997/0126292 is C17H21N3O4.
What is the molecular weight of A2997/0126292?
The molecular weight of A2997/0126292 is 331.15 g/mol.
Where can I buy A2997/0126292?
You can request a quote for A2997/0126292 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A2997/0126292?
Yes, KEHONG BIO provides custom synthesis services for A2997/0126292 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.