BAS 10302539
TL;DR: BAS 10302539 (CAS 876722-51-9) is a chemical compound with molecular formula C12H11N3O4 and molecular weight 261.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-hydroxy-5-[(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methylideneamino]benzoic acid
Also Known As: BAS 10302539, 2-hydroxy-5-[(3-methyl-5-oxo-1H-pyrazol-4-ylidene)methylamino]benzoic acid, (E)-2-hydroxy-5-(((3-methyl-5-oxo-1H-pyrazol-4(5H)-ylidene)methyl)amino)benzoic acid, 2-hydroxy-5-[[(E)-(3-methyl-5-oxo-1H-pyrazol-4-ylidene)methyl]amino]benzoic acid, 2-hydroxy-5-{[(E)-(3-hydroxy-5-methyl-4H-pyrazol-4-ylidene)methyl]amino}benzoic acid
| Molecular Formula | C12H11N3O4 |
|---|---|
| Molecular Weight | 261.07 g/mol |
| LogP | 1.16582 |
| Topological Polar Surface Area | 118.54 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 261.07495 |
| Heavy Atoms | 19 |
| Complexity | 712.0048 |
Chemical Identifiers
| CAS Number | 876722-51-9 |
|---|---|
| SMILES | CC1=C(C(=O)NN1)C=NC2=CC(=C(C=C2)O)C(=O)O |
Product Overview
BAS 10302539 (CAS 876722-51-9), with molecular formula C12H11N3O4 and molecular weight 261.07 g/mol. IUPAC: 2-hydroxy-5-[(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methylideneamino]benzoic acid.
Chemical Property Profile of BAS 10302539
Property Insights of BAS 10302539
The XLogP value of 1.16582 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 10302539. The TPSA of 118.54 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 10302539. Following Lipinski's Rule of Five, BAS 10302539 has 4 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 10302539?
The CAS number of BAS 10302539 is 876722-51-9.
What is the molecular formula of BAS 10302539?
The molecular formula of BAS 10302539 is C12H11N3O4.
What is the molecular weight of BAS 10302539?
The molecular weight of BAS 10302539 is 261.07 g/mol.
Where can I buy BAS 10302539?
You can request a quote for BAS 10302539 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 10302539?
Yes, KEHONG BIO provides custom synthesis services for BAS 10302539 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.