1(6H)-Pyridazinepropanoic acid, 5-cyano-6-oxo-3,4-diphenyl-
TL;DR: 1(6H)-Pyridazinepropanoic acid, 5-cyano-6-oxo-3,4-diphenyl- (CAS 82232-66-4) is a chemical compound with molecular formula C20H15N3O3 and molecular weight 345.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(5-cyano-6-oxo-3,4-diphenylpyridazin-1-yl)propanoic acid
Also Known As: KST-1B8960, 1(6H)-Pyridazinepropanoic acid, 5-cyano-6-oxo-3,4-diphenyl-, 3-(5-Cyano-6-oxo-3,4-diphenylpyridazin-1(6H)-yl)propanoic acid, 5-Cyano-6-oxo-3,4-diphenyl-1(6H)-pyridazinepropanoic acid, (5-Cyano-6-oxo-3,4-diphenyl-1(6H)-pyridazinyl)acetic acid
| Molecular Formula | C20H15N3O3 |
|---|---|
| Molecular Weight | 345.11 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 93.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 345.11133 |
| Heavy Atoms | 26 |
| Complexity | 674.0 |
Chemical Identifiers
| CAS Number | 82232-66-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=C(C(=O)N(N=C2C3=CC=CC=C3)CCC(=O)O)C#N |
| InChIKey | BSTGBPNGQOADOT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1(6H)-Pyridazinepropanoic acid, 5-cyano-6-oxo-3,4-diphenyl- (CAS 82232-66-4), with molecular formula C20H15N3O3 and molecular weight 345.11 g/mol. IUPAC: 3-(5-cyano-6-oxo-3,4-diphenylpyridazin-1-yl)propanoic acid.
Chemical Property Profile of 1(6H)-Pyridazinepropanoic acid, 5-cyano-6-oxo-3,4-diphenyl-
Property Insights of 1(6H)-Pyridazinepropanoic acid, 5-cyano-6-oxo-3,4-diphenyl-
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1(6H)-Pyridazinepropanoic acid, 5-cyano-6-oxo-3,4-diphenyl-. The TPSA of 93.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 1(6H)-Pyridazinepropanoic acid, 5-cyano-6-oxo-3,4-diphenyl-. Following Lipinski's Rule of Five, 1(6H)-Pyridazinepropanoic acid, 5-cyano-6-oxo-3,4-diphenyl- has 1 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)-Pyridazinepropanoic acid, 5-cyano-6-oxo-3,4-diphenyl-?
The CAS number of 1(6H)-Pyridazinepropanoic acid, 5-cyano-6-oxo-3,4-diphenyl- is 82232-66-4.
What is the molecular formula of 1(6H)-Pyridazinepropanoic acid, 5-cyano-6-oxo-3,4-diphenyl-?
The molecular formula of 1(6H)-Pyridazinepropanoic acid, 5-cyano-6-oxo-3,4-diphenyl- is C20H15N3O3.
What is the molecular weight of 1(6H)-Pyridazinepropanoic acid, 5-cyano-6-oxo-3,4-diphenyl-?
The molecular weight of 1(6H)-Pyridazinepropanoic acid, 5-cyano-6-oxo-3,4-diphenyl- is 345.11 g/mol.
Where can I buy 1(6H)-Pyridazinepropanoic acid, 5-cyano-6-oxo-3,4-diphenyl-?
You can request a quote for 1(6H)-Pyridazinepropanoic acid, 5-cyano-6-oxo-3,4-diphenyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1(6H)-Pyridazinepropanoic acid, 5-cyano-6-oxo-3,4-diphenyl-?
Yes, KEHONG BIO provides custom synthesis services for 1(6H)-Pyridazinepropanoic acid, 5-cyano-6-oxo-3,4-diphenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.