![3-(3,4-Dimethyl-6-oxo-6H-pyrano[2,3-c]pyrazol-1-yl)-benzoic acid structure](/static/products/3545/354557-58-7.webp)
3-(3,4-Dimethyl-6-oxo-6H-pyrano[2,3-c]pyrazol-1-yl)-benzoic acid
TL;DR: 3-(3,4-Dimethyl-6-oxo-6H-pyrano[2,3-c]pyrazol-1-yl)-benzoic acid (CAS 354557-58-7) is a chemical compound with molecular formula C15H12N2O4 and molecular weight 284.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3,4-dimethyl-6-oxopyrano[3,2-d]pyrazol-1-yl)benzoic acid
Also Known As: 3-(3,4-Dimethyl-6-oxo-6H-pyrano[2,3-c]pyrazol-1-yl)-benzoic acid, BAS 03263272, 3-(3,4-dimethyl-6-oxopyrano[2,3-c]pyrazol-1(6H)-yl)benzoic acid, 3-(3,4-dimethyl-6-oxopyrano[2,3-c]pyrazol-1-yl)benzoic acid, 3-{3,4-dimethyl-6-oxopyrano[2,3-c]pyrazol-1-yl}benzoic acid
| Molecular Formula | C15H12N2O4 |
|---|---|
| Molecular Weight | 284.08 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 81.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 284.0797 |
| Heavy Atoms | 21 |
| Complexity | 490.0 |
Chemical Identifiers
| CAS Number | 354557-58-7 |
|---|---|
| SMILES | CC1=CC(=O)OC2=C1C(=NN2C3=CC=CC(=C3)C(=O)O)C |
| InChIKey | MAZZTFBCNJSBIM-UHFFFAOYSA-N |
Product Overview
3-(3,4-Dimethyl-6-oxo-6H-pyrano[2,3-c]pyrazol-1-yl)-benzoic acid (CAS 354557-58-7), with molecular formula C15H12N2O4 and molecular weight 284.08 g/mol. IUPAC: 3-(3,4-dimethyl-6-oxopyrano[3,2-d]pyrazol-1-yl)benzoic acid.
Chemical Property Profile of 3-(3,4-Dimethyl-6-oxo-6H-pyrano[2,3-c]pyrazol-1-yl)-benzoic acid
Property Insights of 3-(3,4-Dimethyl-6-oxo-6H-pyrano[2,3-c]pyrazol-1-yl)-benzoic acid
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(3,4-Dimethyl-6-oxo-6H-pyrano[2,3-c]pyrazol-1-yl)-benzoic acid. The TPSA of 81.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(3,4-Dimethyl-6-oxo-6H-pyrano[2,3-c]pyrazol-1-yl)-benzoic acid. Following Lipinski's Rule of Five, 3-(3,4-Dimethyl-6-oxo-6H-pyrano[2,3-c]pyrazol-1-yl)-benzoic acid 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 3-(3,4-Dimethyl-6-oxo-6H-pyrano[2,3-c]pyrazol-1-yl)-benzoic acid?
The CAS number of 3-(3,4-Dimethyl-6-oxo-6H-pyrano[2,3-c]pyrazol-1-yl)-benzoic acid is 354557-58-7.
What is the molecular formula of 3-(3,4-Dimethyl-6-oxo-6H-pyrano[2,3-c]pyrazol-1-yl)-benzoic acid?
The molecular formula of 3-(3,4-Dimethyl-6-oxo-6H-pyrano[2,3-c]pyrazol-1-yl)-benzoic acid is C15H12N2O4.
What is the molecular weight of 3-(3,4-Dimethyl-6-oxo-6H-pyrano[2,3-c]pyrazol-1-yl)-benzoic acid?
The molecular weight of 3-(3,4-Dimethyl-6-oxo-6H-pyrano[2,3-c]pyrazol-1-yl)-benzoic acid is 284.08 g/mol.
Where can I buy 3-(3,4-Dimethyl-6-oxo-6H-pyrano[2,3-c]pyrazol-1-yl)-benzoic acid?
You can request a quote for 3-(3,4-Dimethyl-6-oxo-6H-pyrano[2,3-c]pyrazol-1-yl)-benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(3,4-Dimethyl-6-oxo-6H-pyrano[2,3-c]pyrazol-1-yl)-benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(3,4-Dimethyl-6-oxo-6H-pyrano[2,3-c]pyrazol-1-yl)-benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.