1H-PYRAZOLE-4-CARBOXAMIDE, 5-CHLORO-3-METHYL-1-PHENYL-N-(4,5,6,7-TETRAHYDRO-5,5-DIMETHYL-7-OXO-2-BENZOTHIAZOLYL)-
TL;DR: 1H-PYRAZOLE-4-CARBOXAMIDE, 5-CHLORO-3-METHYL-1-PHENYL-N-(4,5,6,7-TETRAHYDRO-5,5-DIMETHYL-7-OXO-2-BENZOTHIAZOLYL)- (CAS 602283-92-1) is a chemical compound with molecular formula C20H19ClN4O2S and molecular weight 414.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-chloro-N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-3-methyl-1-phenylpyrazole-4-carboxamide
Also Known As: 1H-PYRAZOLE-4-CARBOXAMIDE, 5-CHLORO-3-METHYL-1-PHENYL-N-(4,5,6,7-TETRAHYDRO-5,5-DIMETHYL-7-OXO-2-BENZOTHIAZOLYL)-, 1H-Pyrazole-4-carboxamide, 5-chloro-3-methyl-1-phenyl-N-(4,5,6,7-tetrahydro-5,5-dimethyl-7-oxo-2-benzothiazolyl)- (9CI), 5-chloro-N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-3-methyl-1-phenylpyrazole-4-carboxamide
| Molecular Formula | C20H19ClN4O2S |
|---|---|
| Molecular Weight | 414.09 g/mol |
| LogP | 4.69802 |
| Topological Polar Surface Area | 76.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 414.09174 |
| Heavy Atoms | 28 |
| Complexity | 1085.3234 |
Chemical Identifiers
| CAS Number | 602283-92-1 |
|---|---|
| SMILES | CC1=NN(C(=C1C(=O)NC2=NC3=C(S2)C(=O)CC(C3)(C)C)Cl)C4=CC=CC=C4 |
Product Overview
1H-PYRAZOLE-4-CARBOXAMIDE, 5-CHLORO-3-METHYL-1-PHENYL-N-(4,5,6,7-TETRAHYDRO-5,5-DIMETHYL-7-OXO-2-BENZOTHIAZOLYL)- (CAS 602283-92-1), with molecular formula C20H19ClN4O2S and molecular weight 414.09 g/mol. IUPAC: 5-chloro-N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-3-methyl-1-phenylpyrazole-4-carboxamide.
Chemical Property Profile of 1H-PYRAZOLE-4-CARBOXAMIDE, 5-CHLORO-3-METHYL-1-PHENYL-N-(4,5,6,7-TETRAHYDRO-5,5-DIMETHYL-7-OXO-2-BENZOTHIAZOLYL)-
Property Insights of 1H-PYRAZOLE-4-CARBOXAMIDE, 5-CHLORO-3-METHYL-1-PHENYL-N-(4,5,6,7-TETRAHYDRO-5,5-DIMETHYL-7-OXO-2-BENZOTHIAZOLYL)-
The XLogP value of 4.69802 indicates that 1H-PYRAZOLE-4-CARBOXAMIDE, 5-CHLORO-3-METHYL-1-PHENYL-N-(4,5,6,7-TETRAHYDRO-5,5-DIMETHYL-7-OXO-2-BENZOTHIAZOLYL)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.88 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-PYRAZOLE-4-CARBOXAMIDE, 5-CHLORO-3-METHYL-1-PHENYL-N-(4,5,6,7-TETRAHYDRO-5,5-DIMETHYL-7-OXO-2-BENZOTHIAZOLYL)-. Following Lipinski's Rule of Five, 1H-PYRAZOLE-4-CARBOXAMIDE, 5-CHLORO-3-METHYL-1-PHENYL-N-(4,5,6,7-TETRAHYDRO-5,5-DIMETHYL-7-OXO-2-BENZOTHIAZOLYL)- 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 1H-PYRAZOLE-4-CARBOXAMIDE, 5-CHLORO-3-METHYL-1-PHENYL-N-(4,5,6,7-TETRAHYDRO-5,5-DIMETHYL-7-OXO-2-BENZOTHIAZOLYL)-?
The CAS number of 1H-PYRAZOLE-4-CARBOXAMIDE, 5-CHLORO-3-METHYL-1-PHENYL-N-(4,5,6,7-TETRAHYDRO-5,5-DIMETHYL-7-OXO-2-BENZOTHIAZOLYL)- is 602283-92-1.
What is the molecular formula of 1H-PYRAZOLE-4-CARBOXAMIDE, 5-CHLORO-3-METHYL-1-PHENYL-N-(4,5,6,7-TETRAHYDRO-5,5-DIMETHYL-7-OXO-2-BENZOTHIAZOLYL)-?
The molecular formula of 1H-PYRAZOLE-4-CARBOXAMIDE, 5-CHLORO-3-METHYL-1-PHENYL-N-(4,5,6,7-TETRAHYDRO-5,5-DIMETHYL-7-OXO-2-BENZOTHIAZOLYL)- is C20H19ClN4O2S.
What is the molecular weight of 1H-PYRAZOLE-4-CARBOXAMIDE, 5-CHLORO-3-METHYL-1-PHENYL-N-(4,5,6,7-TETRAHYDRO-5,5-DIMETHYL-7-OXO-2-BENZOTHIAZOLYL)-?
The molecular weight of 1H-PYRAZOLE-4-CARBOXAMIDE, 5-CHLORO-3-METHYL-1-PHENYL-N-(4,5,6,7-TETRAHYDRO-5,5-DIMETHYL-7-OXO-2-BENZOTHIAZOLYL)- is 414.09 g/mol.
Where can I buy 1H-PYRAZOLE-4-CARBOXAMIDE, 5-CHLORO-3-METHYL-1-PHENYL-N-(4,5,6,7-TETRAHYDRO-5,5-DIMETHYL-7-OXO-2-BENZOTHIAZOLYL)-?
You can request a quote for 1H-PYRAZOLE-4-CARBOXAMIDE, 5-CHLORO-3-METHYL-1-PHENYL-N-(4,5,6,7-TETRAHYDRO-5,5-DIMETHYL-7-OXO-2-BENZOTHIAZOLYL)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-PYRAZOLE-4-CARBOXAMIDE, 5-CHLORO-3-METHYL-1-PHENYL-N-(4,5,6,7-TETRAHYDRO-5,5-DIMETHYL-7-OXO-2-BENZOTHIAZOLYL)-?
Yes, KEHONG BIO provides custom synthesis services for 1H-PYRAZOLE-4-CARBOXAMIDE, 5-CHLORO-3-METHYL-1-PHENYL-N-(4,5,6,7-TETRAHYDRO-5,5-DIMETHYL-7-OXO-2-BENZOTHIAZOLYL)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.