BAS 05986033
TL;DR: BAS 05986033 (CAS 680990-01-6) is a chemical compound with molecular formula C14H11N3O3 and molecular weight 269.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-cyano-4-methyl-1-(2-methylphenyl)-6-oxopyridazine-3-carboxylic acid
Also Known As: BAS 05986033, 5-cyano-4-methyl-6-oxo-1-(o-tolyl)-1,6-dihydropyridazine-3-carboxylic acid, 5-cyano-4-methyl-1-(2-methylphenyl)-6-oxo-1,6-dihydropyridazine-3-carboxylic acid, 5-cyano-4-methyl-1-(2-methylphenyl)-6-oxohydropyridazine-3-carboxylic acid, 5-cyano-4-methyl-1-(2-methylphenyl)-6-oxopyridazine-3-carboxylic acid
| Molecular Formula | C14H11N3O3 |
|---|---|
| Molecular Weight | 269.08 g/mol |
| LogP | 1.41922 |
| Topological Polar Surface Area | 95.98 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 269.08005 |
| Heavy Atoms | 20 |
| Complexity | 800.28705 |
Chemical Identifiers
| CAS Number | 680990-01-6 |
|---|---|
| SMILES | CC1=CC=CC=C1N2C(=O)C(=C(C(=N2)C(=O)O)C)C#N |
Product Overview
BAS 05986033 (CAS 680990-01-6), with molecular formula C14H11N3O3 and molecular weight 269.08 g/mol. IUPAC: 5-cyano-4-methyl-1-(2-methylphenyl)-6-oxopyridazine-3-carboxylic acid.
Chemical Property Profile of BAS 05986033
Property Insights of BAS 05986033
The XLogP value of 1.41922 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 05986033. The TPSA of 95.98 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 05986033. Following Lipinski's Rule of Five, BAS 05986033 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 BAS 05986033?
The CAS number of BAS 05986033 is 680990-01-6.
What is the molecular formula of BAS 05986033?
The molecular formula of BAS 05986033 is C14H11N3O3.
What is the molecular weight of BAS 05986033?
The molecular weight of BAS 05986033 is 269.08 g/mol.
Where can I buy BAS 05986033?
You can request a quote for BAS 05986033 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 05986033?
Yes, KEHONG BIO provides custom synthesis services for BAS 05986033 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.