Thieno(2,3-d)isothiazole, 3-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)-5-phenyl-, 1,1-dioxide
TL;DR: Thieno(2,3-d)isothiazole, 3-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)-5-phenyl-, 1,1-dioxide (CAS 113387-74-9) is a chemical compound with molecular formula C16H12ClN3O2S2 and molecular weight 377.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-chloro-3,5-dimethylpyrazol-1-yl)-5-phenylthieno[2,3-d][1,2]thiazole 1,1-dioxide
Also Known As: Thieno(2,3-d)isothiazole, 3-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)-5-phenyl-, 1,1-dioxide, 3-(4-Chloro-3,5-dimethyl-1H-pyrazol-1-yl)-5-phenylthieno(2,3-d)isothiazole 1,1-dioxide, 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-5-phenylthieno[2,3-d][1,2]thiazole 1,1-dioxide, 3-(4-Chloro-3,5-dimethyl-1H-pyrazol-1-yl)-5-phenyl-1H-1lambda~6~-thieno[2,3-d][1,2]thiazole-1,1-dione, BRN 5999825
| Molecular Formula | C16H12ClN3O2S2 |
|---|---|
| Molecular Weight | 377.01 g/mol |
| LogP | 3.87904 |
| Topological Polar Surface Area | 64.32 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 377.00595 |
| Heavy Atoms | 24 |
| Complexity | 1096.0486 |
Chemical Identifiers
| CAS Number | 113387-74-9 |
|---|---|
| SMILES | CC1=C(C(=NN1C2=NS(=O)(=O)C3=C2SC(=C3)C4=CC=CC=C4)C)Cl |
Product Overview
Thieno(2,3-d)isothiazole, 3-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)-5-phenyl-, 1,1-dioxide (CAS 113387-74-9), with molecular formula C16H12ClN3O2S2 and molecular weight 377.01 g/mol. IUPAC: 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-5-phenylthieno[2,3-d][1,2]thiazole 1,1-dioxide.
Chemical Property Profile of Thieno(2,3-d)isothiazole, 3-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)-5-phenyl-, 1,1-dioxide
Property Insights of Thieno(2,3-d)isothiazole, 3-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)-5-phenyl-, 1,1-dioxide
The XLogP value of 3.87904 indicates that Thieno(2,3-d)isothiazole, 3-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)-5-phenyl-, 1,1-dioxide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.32 Ų falls within the moderate polarity range, balancing permeability and solubility for Thieno(2,3-d)isothiazole, 3-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)-5-phenyl-, 1,1-dioxide. Following Lipinski's Rule of Five, Thieno(2,3-d)isothiazole, 3-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)-5-phenyl-, 1,1-dioxide has 0 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 Thieno(2,3-d)isothiazole, 3-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)-5-phenyl-, 1,1-dioxide?
The CAS number of Thieno(2,3-d)isothiazole, 3-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)-5-phenyl-, 1,1-dioxide is 113387-74-9.
What is the molecular formula of Thieno(2,3-d)isothiazole, 3-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)-5-phenyl-, 1,1-dioxide?
The molecular formula of Thieno(2,3-d)isothiazole, 3-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)-5-phenyl-, 1,1-dioxide is C16H12ClN3O2S2.
What is the molecular weight of Thieno(2,3-d)isothiazole, 3-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)-5-phenyl-, 1,1-dioxide?
The molecular weight of Thieno(2,3-d)isothiazole, 3-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)-5-phenyl-, 1,1-dioxide is 377.01 g/mol.
Where can I buy Thieno(2,3-d)isothiazole, 3-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)-5-phenyl-, 1,1-dioxide?
You can request a quote for Thieno(2,3-d)isothiazole, 3-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)-5-phenyl-, 1,1-dioxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thieno(2,3-d)isothiazole, 3-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)-5-phenyl-, 1,1-dioxide?
Yes, KEHONG BIO provides custom synthesis services for Thieno(2,3-d)isothiazole, 3-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)-5-phenyl-, 1,1-dioxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.