1-Phenyl-1,4-dihydrothiochromeno(4,3-c)pyrazole-3-carboxylic acid
TL;DR: 1-Phenyl-1,4-dihydrothiochromeno(4,3-c)pyrazole-3-carboxylic acid (CAS 69099-25-8) is a chemical compound with molecular formula C17H12N2O2S and molecular weight 308.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-phenyl-4H-thiochromeno[3,4-d]pyrazole-3-carboxylic acid
Also Known As: 1-Phenyl-1,4-dihydrothiochromeno(4,3-c)pyrazole-3-carboxylic acid, 1-Phenyl-1,4-dihydrothiochromeno[4,3-c]pyrazole-3-carboxylic acid, 1-phenyl-4H-thiochromeno[4,3-c]pyrazole-3-carboxylic acid, (1)BENZOTHIOPYRANO(4,3-C)PYRAZOLE-3-CARBOXYLIC ACID, 1,4-DIHYDRO-1-PHENYL-, 1,4-DIHYDRO-1-PHENYL(1)BENZOTHIOPYRANO(4,3-C)PYRAZOLE-3-CARBOXYLIC ACID
| Molecular Formula | C17H12N2O2S |
|---|---|
| Molecular Weight | 308.06 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 80.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 308.06195 |
| Heavy Atoms | 22 |
| Complexity | 427.0 |
Chemical Identifiers
| CAS Number | 69099-25-8 |
|---|---|
| SMILES | C1C2=C(C3=CC=CC=C3S1)N(N=C2C(=O)O)C4=CC=CC=C4 |
| InChIKey | KGCPHZNGYDYXTL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Phenyl-1,4-dihydrothiochromeno(4,3-c)pyrazole-3-carboxylic acid (CAS 69099-25-8), with molecular formula C17H12N2O2S and molecular weight 308.06 g/mol. IUPAC: 1-phenyl-4H-thiochromeno[3,4-d]pyrazole-3-carboxylic acid.
Chemical Property Profile of 1-Phenyl-1,4-dihydrothiochromeno(4,3-c)pyrazole-3-carboxylic acid
Property Insights of 1-Phenyl-1,4-dihydrothiochromeno(4,3-c)pyrazole-3-carboxylic acid
The XLogP value of 3.5 indicates that 1-Phenyl-1,4-dihydrothiochromeno(4,3-c)pyrazole-3-carboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Phenyl-1,4-dihydrothiochromeno(4,3-c)pyrazole-3-carboxylic acid. Following Lipinski's Rule of Five, 1-Phenyl-1,4-dihydrothiochromeno(4,3-c)pyrazole-3-carboxylic acid 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 1-Phenyl-1,4-dihydrothiochromeno(4,3-c)pyrazole-3-carboxylic acid?
The CAS number of 1-Phenyl-1,4-dihydrothiochromeno(4,3-c)pyrazole-3-carboxylic acid is 69099-25-8.
What is the molecular formula of 1-Phenyl-1,4-dihydrothiochromeno(4,3-c)pyrazole-3-carboxylic acid?
The molecular formula of 1-Phenyl-1,4-dihydrothiochromeno(4,3-c)pyrazole-3-carboxylic acid is C17H12N2O2S.
What is the molecular weight of 1-Phenyl-1,4-dihydrothiochromeno(4,3-c)pyrazole-3-carboxylic acid?
The molecular weight of 1-Phenyl-1,4-dihydrothiochromeno(4,3-c)pyrazole-3-carboxylic acid is 308.06 g/mol.
Where can I buy 1-Phenyl-1,4-dihydrothiochromeno(4,3-c)pyrazole-3-carboxylic acid?
You can request a quote for 1-Phenyl-1,4-dihydrothiochromeno(4,3-c)pyrazole-3-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Phenyl-1,4-dihydrothiochromeno(4,3-c)pyrazole-3-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 1-Phenyl-1,4-dihydrothiochromeno(4,3-c)pyrazole-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.