2-methyl-N-(6-nitro-1,3-benzothiazol-2-yl)furan-3-carboxamide
TL;DR: 2-methyl-N-(6-nitro-1,3-benzothiazol-2-yl)furan-3-carboxamide (CAS 545374-46-7) is a chemical compound with molecular formula C13H9N3O4S and molecular weight 303.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-N-(6-nitro-1,3-benzothiazol-2-yl)furan-3-carboxamide
Also Known As: 2-methyl-N-(6-nitro-1,3-benzothiazol-2-yl)furan-3-carboxamide, N-{6-nitro-1,3-benzothiazol-2-yl}-2-methyl-3-furamide, (2-methyl(3-furyl))-N-(6-nitrobenzothiazol-2-yl)carboxamide, 2-METHYL-N-(6-NITRO-13-BENZOTHIAZOL-2-YL)FURAN-3-CARBOXAMIDE
| Molecular Formula | C13H9N3O4S |
|---|---|
| Molecular Weight | 303.03 g/mol |
| LogP | 3.35822 |
| Topological Polar Surface Area | 98.27 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 303.03137 |
| Heavy Atoms | 21 |
| Complexity | 852.09863 |
Chemical Identifiers
| CAS Number | 545374-46-7 |
|---|---|
| SMILES | CC1=C(C=CO1)C(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-] |
Product Overview
2-methyl-N-(6-nitro-1,3-benzothiazol-2-yl)furan-3-carboxamide (CAS 545374-46-7), with molecular formula C13H9N3O4S and molecular weight 303.03 g/mol. IUPAC: 2-methyl-N-(6-nitro-1,3-benzothiazol-2-yl)furan-3-carboxamide.
Chemical Property Profile of 2-methyl-N-(6-nitro-1,3-benzothiazol-2-yl)furan-3-carboxamide
Property Insights of 2-methyl-N-(6-nitro-1,3-benzothiazol-2-yl)furan-3-carboxamide
The XLogP value of 3.35822 indicates that 2-methyl-N-(6-nitro-1,3-benzothiazol-2-yl)furan-3-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.27 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-methyl-N-(6-nitro-1,3-benzothiazol-2-yl)furan-3-carboxamide. Following Lipinski's Rule of Five, 2-methyl-N-(6-nitro-1,3-benzothiazol-2-yl)furan-3-carboxamide has 1 hydrogen bond donor(s) and 6 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 2-methyl-N-(6-nitro-1,3-benzothiazol-2-yl)furan-3-carboxamide?
The CAS number of 2-methyl-N-(6-nitro-1,3-benzothiazol-2-yl)furan-3-carboxamide is 545374-46-7.
What is the molecular formula of 2-methyl-N-(6-nitro-1,3-benzothiazol-2-yl)furan-3-carboxamide?
The molecular formula of 2-methyl-N-(6-nitro-1,3-benzothiazol-2-yl)furan-3-carboxamide is C13H9N3O4S.
What is the molecular weight of 2-methyl-N-(6-nitro-1,3-benzothiazol-2-yl)furan-3-carboxamide?
The molecular weight of 2-methyl-N-(6-nitro-1,3-benzothiazol-2-yl)furan-3-carboxamide is 303.03 g/mol.
Where can I buy 2-methyl-N-(6-nitro-1,3-benzothiazol-2-yl)furan-3-carboxamide?
You can request a quote for 2-methyl-N-(6-nitro-1,3-benzothiazol-2-yl)furan-3-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-methyl-N-(6-nitro-1,3-benzothiazol-2-yl)furan-3-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 2-methyl-N-(6-nitro-1,3-benzothiazol-2-yl)furan-3-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.