RefChem:332965
TL;DR: RefChem:332965 (CAS 32059-12-4) is a chemical compound with molecular formula C21H22N4O4 and molecular weight 394.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl N-[4-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamoyl]phenyl]carbamate
Also Known As: 4-(p-Carbethoxyaminobenzamido)antipyrine, Carbanilic acid, 4-((2,3-dimethyl-5-oxo-1-phenyl-3-pyrazolin-4-yl)carbamoyl)-, ethyl ester, Ethyl 4-((2,3-dimethyl-5-oxo-1-phenyl-3-pyrazolin-4-yl)carbamoyl)carbanilate, 4-((2,3-Dimethyl-5-oxo-1-phenyl-3-pyrazolin-4-yl)carbamoyl)carbanilic acid ethyl ester, 4-[(2,3-Dimethyl-5-oxo-1-phenyl-3-pyrazolin-4-yl)carbamoyl]carbanilic acid ethyl ester
| Molecular Formula | C21H22N4O4 |
|---|---|
| Molecular Weight | 394.16 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 91.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 394.1641 |
| Heavy Atoms | 29 |
| Complexity | 664.0 |
Chemical Identifiers
| CAS Number | 32059-12-4 |
|---|---|
| SMILES | CCOC(=O)NC1=CC=C(C=C1)C(=O)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C |
| InChIKey | VKDKWGIVULSQSU-UHFFFAOYSA-N |
Product Overview
RefChem:332965 (CAS 32059-12-4), with molecular formula C21H22N4O4 and molecular weight 394.16 g/mol. IUPAC: ethyl N-[4-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamoyl]phenyl]carbamate.
Chemical Property Profile of RefChem:332965
Property Insights of RefChem:332965
The XLogP value of 3.0 indicates that RefChem:332965 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:332965. Following Lipinski's Rule of Five, RefChem:332965 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 RefChem:332965?
The CAS number of RefChem:332965 is 32059-12-4.
What is the molecular formula of RefChem:332965?
The molecular formula of RefChem:332965 is C21H22N4O4.
What is the molecular weight of RefChem:332965?
The molecular weight of RefChem:332965 is 394.16 g/mol.
Where can I buy RefChem:332965?
You can request a quote for RefChem:332965 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:332965?
Yes, KEHONG BIO provides custom synthesis services for RefChem:332965 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.