BAS 05986035
TL;DR: BAS 05986035 (CAS 128639-57-6) is a chemical compound with molecular formula C14H11N3O4 and molecular weight 285.07495 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-cyano-1-(4-methoxyphenyl)-4-methyl-6-oxopyridazine-3-carboxylic acid
Also Known As: BAS 05986035, AI-031/41414414, 5-cyano-1-(4-methoxyphenyl)-4-methyl-6-oxo-1,6-dihydro-3-pyridazinecarboxylic acid, 5-cyano-1-(4-methoxyphenyl)-4-methyl-6-oxopyridazine-3-carboxylic acid, 5-cyano-1-(4-methoxyphenyl)-4-methyl-6-oxo-1,6-dihydropyridazine-3-carboxylic acid
Technical Specifications
| Molecular Formula | C14H11N3O4 |
| Molecular Weight | 285.07495 g/mol |
| XLogP | 1.2 |
| Topological Polar Surface Area (TPSA) | 103.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 285.07495 Da |
| Heavy Atoms | 21 |
| Complexity | 576.0 |
| SMILES | CC1=C(C(=O)N(N=C1C(=O)O)C2=CC=C(C=C2)OC)C#N |
| InChIKey | IBXLCCZQJPZGBC-UHFFFAOYSA-N |
Chemical Property Profile of BAS 05986035
Property Insights of BAS 05986035
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 05986035. The TPSA of 103.0 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 05986035. Following Lipinski's Rule of Five, BAS 05986035 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of BAS 05986035?
The CAS number of BAS 05986035 is 128639-57-6.
What is the molecular formula of BAS 05986035?
The molecular formula of BAS 05986035 is C14H11N3O4.
What is the molecular weight of BAS 05986035?
The molecular weight of BAS 05986035 is 285.07495 g/mol.
Where can I buy BAS 05986035?
You can request a quote for BAS 05986035 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for BAS 05986035?
Yes, CoreyChem provides custom synthesis services for BAS 05986035 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.