1(6H)-Pyridazineacetic acid, 5-cyano-6-oxo-3,4-diphenyl-, ethyl ester
TL;DR: 1(6H)-Pyridazineacetic acid, 5-cyano-6-oxo-3,4-diphenyl-, ethyl ester (CAS 82232-20-0) is a chemical compound with molecular formula C21H17N3O3 and molecular weight 359.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(5-cyano-6-oxo-3,4-diphenylpyridazin-1-yl)acetate
Also Known As: 1(6H)-Pyridazineacetic acid, 5-cyano-6-oxo-3,4-diphenyl-, ethyl ester, ethyl 2-(5-cyano-6-oxo-3,4-diphenylpyridazin-1-yl)acetate, ethyl(5-cyano-6-oxo-3,4-diphenylpyridazin-1(6h)-yl)acetate, Ethyl (5-cyano-6-oxo-3,4-diphenylpyridazin-1(6H)-yl)acetate, 5-Cyano-1,6-dihydro-6-oxo-3,4-diphenyl-1-pyridazineacetic acid ethyl ester
| Molecular Formula | C21H17N3O3 |
|---|---|
| Molecular Weight | 359.13 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 82.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 359.12698 |
| Heavy Atoms | 27 |
| Complexity | 689.0 |
Chemical Identifiers
| CAS Number | 82232-20-0 |
|---|---|
| SMILES | CCOC(=O)CN1C(=O)C(=C(C(=N1)C2=CC=CC=C2)C3=CC=CC=C3)C#N |
| InChIKey | MDJRGGCMPPEHFG-UHFFFAOYSA-N |
Product Overview
1(6H)-Pyridazineacetic acid, 5-cyano-6-oxo-3,4-diphenyl-, ethyl ester (CAS 82232-20-0), with molecular formula C21H17N3O3 and molecular weight 359.13 g/mol. IUPAC: ethyl 2-(5-cyano-6-oxo-3,4-diphenylpyridazin-1-yl)acetate.
Chemical Property Profile of 1(6H)-Pyridazineacetic acid, 5-cyano-6-oxo-3,4-diphenyl-, ethyl ester
Property Insights of 1(6H)-Pyridazineacetic acid, 5-cyano-6-oxo-3,4-diphenyl-, ethyl ester
The XLogP value of 3.3 indicates that 1(6H)-Pyridazineacetic acid, 5-cyano-6-oxo-3,4-diphenyl-, ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 1(6H)-Pyridazineacetic acid, 5-cyano-6-oxo-3,4-diphenyl-, ethyl ester. Following Lipinski's Rule of Five, 1(6H)-Pyridazineacetic acid, 5-cyano-6-oxo-3,4-diphenyl-, ethyl ester 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 1(6H)-Pyridazineacetic acid, 5-cyano-6-oxo-3,4-diphenyl-, ethyl ester?
The CAS number of 1(6H)-Pyridazineacetic acid, 5-cyano-6-oxo-3,4-diphenyl-, ethyl ester is 82232-20-0.
What is the molecular formula of 1(6H)-Pyridazineacetic acid, 5-cyano-6-oxo-3,4-diphenyl-, ethyl ester?
The molecular formula of 1(6H)-Pyridazineacetic acid, 5-cyano-6-oxo-3,4-diphenyl-, ethyl ester is C21H17N3O3.
What is the molecular weight of 1(6H)-Pyridazineacetic acid, 5-cyano-6-oxo-3,4-diphenyl-, ethyl ester?
The molecular weight of 1(6H)-Pyridazineacetic acid, 5-cyano-6-oxo-3,4-diphenyl-, ethyl ester is 359.13 g/mol.
Where can I buy 1(6H)-Pyridazineacetic acid, 5-cyano-6-oxo-3,4-diphenyl-, ethyl ester?
You can request a quote for 1(6H)-Pyridazineacetic acid, 5-cyano-6-oxo-3,4-diphenyl-, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1(6H)-Pyridazineacetic acid, 5-cyano-6-oxo-3,4-diphenyl-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 1(6H)-Pyridazineacetic acid, 5-cyano-6-oxo-3,4-diphenyl-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.