3-methoxy-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-4-nitro-1H-pyrazole-5-carboxamide
TL;DR: 3-methoxy-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-4-nitro-1H-pyrazole-5-carboxamide (CAS 514817-06-2) is a chemical compound with molecular formula C13H11N5O6S2 and molecular weight 397.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methoxy-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-4-nitro-1H-pyrazole-5-carboxamide
Also Known As: 3-methoxy-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-4-nitro-1H-pyrazole-5-carboxamide, 3-methoxy-N-[6-(methylsulfonyl)-1,3-benzothiazol-2-yl]-4-nitro-1H-pyrazole-5-carboxamide, 4-nitro-3-methoxy-N-[6-(methylsulfonyl)-1,3-benzothiazol-2-yl]-1H-pyrazole-5-carboxamide, 5-methoxy-N-(6-methylsulfonylbenzothiazol-2-yl)-4-nitro-2H-pyrazole-3-carboxamide
| Molecular Formula | C13H11N5O6S2 |
|---|---|
| Molecular Weight | 397.02 g/mol |
| LogP | 1.592 |
| Topological Polar Surface Area | 157.18 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 397.01508 |
| Heavy Atoms | 26 |
| Complexity | 1133.3069 |
Chemical Identifiers
| CAS Number | 514817-06-2 |
|---|---|
| SMILES | COC1=NNC(=C1[N+](=O)[O-])C(=O)NC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)C |
Product Overview
3-methoxy-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-4-nitro-1H-pyrazole-5-carboxamide (CAS 514817-06-2), with molecular formula C13H11N5O6S2 and molecular weight 397.02 g/mol. IUPAC: 3-methoxy-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-4-nitro-1H-pyrazole-5-carboxamide.
Chemical Property Profile of 3-methoxy-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-4-nitro-1H-pyrazole-5-carboxamide
Property Insights of 3-methoxy-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-4-nitro-1H-pyrazole-5-carboxamide
The XLogP value of 1.592 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-methoxy-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-4-nitro-1H-pyrazole-5-carboxamide. The TPSA of 157.18 Ų indicates high polarity, suggesting 3-methoxy-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-4-nitro-1H-pyrazole-5-carboxamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3-methoxy-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-4-nitro-1H-pyrazole-5-carboxamide has 2 hydrogen bond donor(s) and 9 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-methoxy-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-4-nitro-1H-pyrazole-5-carboxamide?
The CAS number of 3-methoxy-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-4-nitro-1H-pyrazole-5-carboxamide is 514817-06-2.
What is the molecular formula of 3-methoxy-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-4-nitro-1H-pyrazole-5-carboxamide?
The molecular formula of 3-methoxy-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-4-nitro-1H-pyrazole-5-carboxamide is C13H11N5O6S2.
What is the molecular weight of 3-methoxy-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-4-nitro-1H-pyrazole-5-carboxamide?
The molecular weight of 3-methoxy-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-4-nitro-1H-pyrazole-5-carboxamide is 397.02 g/mol.
Where can I buy 3-methoxy-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-4-nitro-1H-pyrazole-5-carboxamide?
You can request a quote for 3-methoxy-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-4-nitro-1H-pyrazole-5-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-methoxy-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-4-nitro-1H-pyrazole-5-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 3-methoxy-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-4-nitro-1H-pyrazole-5-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.