Benzoic acid, 3,4-dichloro-, 2,3-dihydro-3-oxo-6-pyridazinyl ester
TL;DR: Benzoic acid, 3,4-dichloro-, 2,3-dihydro-3-oxo-6-pyridazinyl ester (CAS 13386-09-9) is a chemical compound with molecular formula C11H6Cl2N2O3 and molecular weight 283.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6-oxo-1H-pyridazin-3-yl) 3,4-dichlorobenzoate
Also Known As: 2,3-Dihydro-3-oxo-6-pyridazinyl 3,4-dichlorobenzoate, 5-25-01-00057 (Beilstein Handbook Reference), (6-oxo-1H-pyridazin-3-yl) 3,4-dichlorobenzoate, BENZOIC ACID, 3,4-DICHLORO-, 2,3-DIHYDRO-3-OXO-6-PYRIDAZINYL ESTER, 3,4-Dichlorobenzoic acid 2,3-dihydro-3-oxo-6-pyridazinyl ester
| Molecular Formula | C11H6Cl2N2O3 |
|---|---|
| Molecular Weight | 283.98 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 67.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 283.97556 |
| Heavy Atoms | 18 |
| Complexity | 423.0 |
Chemical Identifiers
| CAS Number | 13386-09-9 |
|---|---|
| SMILES | C1=CC(=C(C=C1C(=O)OC2=NNC(=O)C=C2)Cl)Cl |
| InChIKey | QPZAPFIGCNRQLL-UHFFFAOYSA-N |
Product Overview
Benzoic acid, 3,4-dichloro-, 2,3-dihydro-3-oxo-6-pyridazinyl ester (CAS 13386-09-9), with molecular formula C11H6Cl2N2O3 and molecular weight 283.98 g/mol. IUPAC: (6-oxo-1H-pyridazin-3-yl) 3,4-dichlorobenzoate.
Chemical Property Profile of Benzoic acid, 3,4-dichloro-, 2,3-dihydro-3-oxo-6-pyridazinyl ester
Property Insights of Benzoic acid, 3,4-dichloro-, 2,3-dihydro-3-oxo-6-pyridazinyl ester
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, 3,4-dichloro-, 2,3-dihydro-3-oxo-6-pyridazinyl ester. The TPSA of 67.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 3,4-dichloro-, 2,3-dihydro-3-oxo-6-pyridazinyl ester. Following Lipinski's Rule of Five, Benzoic acid, 3,4-dichloro-, 2,3-dihydro-3-oxo-6-pyridazinyl ester has 1 hydrogen bond donor(s) and 4 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 Benzoic acid, 3,4-dichloro-, 2,3-dihydro-3-oxo-6-pyridazinyl ester?
The CAS number of Benzoic acid, 3,4-dichloro-, 2,3-dihydro-3-oxo-6-pyridazinyl ester is 13386-09-9.
What is the molecular formula of Benzoic acid, 3,4-dichloro-, 2,3-dihydro-3-oxo-6-pyridazinyl ester?
The molecular formula of Benzoic acid, 3,4-dichloro-, 2,3-dihydro-3-oxo-6-pyridazinyl ester is C11H6Cl2N2O3.
What is the molecular weight of Benzoic acid, 3,4-dichloro-, 2,3-dihydro-3-oxo-6-pyridazinyl ester?
The molecular weight of Benzoic acid, 3,4-dichloro-, 2,3-dihydro-3-oxo-6-pyridazinyl ester is 283.98 g/mol.
Where can I buy Benzoic acid, 3,4-dichloro-, 2,3-dihydro-3-oxo-6-pyridazinyl ester?
You can request a quote for Benzoic acid, 3,4-dichloro-, 2,3-dihydro-3-oxo-6-pyridazinyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 3,4-dichloro-, 2,3-dihydro-3-oxo-6-pyridazinyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 3,4-dichloro-, 2,3-dihydro-3-oxo-6-pyridazinyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.