3-Methyl-1-phenyl-1H-(1)benzothieno(3,2-c)pyrazole 4,4-dioxide
TL;DR: 3-Methyl-1-phenyl-1H-(1)benzothieno(3,2-c)pyrazole 4,4-dioxide (CAS 71087-62-2) is a chemical compound with molecular formula C16H12N2O2S and molecular weight 296.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-1-phenyl-[1]benzothiolo[2,3-d]pyrazole 4,4-dioxide
Also Known As: 3-Methyl-1-phenyl-1H-(1)benzothieno(3,2-c)pyrazole 4,4-dioxide, AB-337/13036053, 3-methyl-1-phenyl-[1]benzothiolo[3,2-c]pyrazole 4,4-dioxide, 3-methyl-1-phenyl-benzothiopheno[3,2-c]pyrazole 4,4-dioxide, 3-Methyl-1-phenyl-1H-[1]benzothieno[3,2-c]pyrazole 4,4-dioxide
| Molecular Formula | C16H12N2O2S |
|---|---|
| Molecular Weight | 296.06 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 60.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 296.06195 |
| Heavy Atoms | 21 |
| Complexity | 495.0 |
Chemical Identifiers
| CAS Number | 71087-62-2 |
|---|---|
| SMILES | CC1=NN(C2=C1S(=O)(=O)C3=CC=CC=C32)C4=CC=CC=C4 |
| InChIKey | OTUKHJHWSAVWJH-UHFFFAOYSA-N |
Product Overview
3-Methyl-1-phenyl-1H-(1)benzothieno(3,2-c)pyrazole 4,4-dioxide (CAS 71087-62-2), with molecular formula C16H12N2O2S and molecular weight 296.06 g/mol. IUPAC: 3-methyl-1-phenyl-[1]benzothiolo[2,3-d]pyrazole 4,4-dioxide.
Chemical Property Profile of 3-Methyl-1-phenyl-1H-(1)benzothieno(3,2-c)pyrazole 4,4-dioxide
Property Insights of 3-Methyl-1-phenyl-1H-(1)benzothieno(3,2-c)pyrazole 4,4-dioxide
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methyl-1-phenyl-1H-(1)benzothieno(3,2-c)pyrazole 4,4-dioxide. The TPSA of 60.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Methyl-1-phenyl-1H-(1)benzothieno(3,2-c)pyrazole 4,4-dioxide. Following Lipinski's Rule of Five, 3-Methyl-1-phenyl-1H-(1)benzothieno(3,2-c)pyrazole 4,4-dioxide has 0 hydrogen bond donor(s) and 3 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-Methyl-1-phenyl-1H-(1)benzothieno(3,2-c)pyrazole 4,4-dioxide?
The CAS number of 3-Methyl-1-phenyl-1H-(1)benzothieno(3,2-c)pyrazole 4,4-dioxide is 71087-62-2.
What is the molecular formula of 3-Methyl-1-phenyl-1H-(1)benzothieno(3,2-c)pyrazole 4,4-dioxide?
The molecular formula of 3-Methyl-1-phenyl-1H-(1)benzothieno(3,2-c)pyrazole 4,4-dioxide is C16H12N2O2S.
What is the molecular weight of 3-Methyl-1-phenyl-1H-(1)benzothieno(3,2-c)pyrazole 4,4-dioxide?
The molecular weight of 3-Methyl-1-phenyl-1H-(1)benzothieno(3,2-c)pyrazole 4,4-dioxide is 296.06 g/mol.
Where can I buy 3-Methyl-1-phenyl-1H-(1)benzothieno(3,2-c)pyrazole 4,4-dioxide?
You can request a quote for 3-Methyl-1-phenyl-1H-(1)benzothieno(3,2-c)pyrazole 4,4-dioxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methyl-1-phenyl-1H-(1)benzothieno(3,2-c)pyrazole 4,4-dioxide?
Yes, KEHONG BIO provides custom synthesis services for 3-Methyl-1-phenyl-1H-(1)benzothieno(3,2-c)pyrazole 4,4-dioxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.