![N-[(6-nitro-1,3-benzothiazol-2-yl)carbamothioyl]-1-benzofuran-2-carboxamide structure](/static/products/879/879617-02-4.png)
N-[(6-nitro-1,3-benzothiazol-2-yl)carbamothioyl]-1-benzofuran-2-carboxamide
TL;DR: N-[(6-nitro-1,3-benzothiazol-2-yl)carbamothioyl]-1-benzofuran-2-carboxamide (CAS 879617-02-4) is a chemical compound with molecular formula C17H10N4O4S2 and molecular weight 398.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(6-nitro-1,3-benzothiazol-2-yl)carbamothioyl]-1-benzofuran-2-carboxamide
Also Known As: N-[(6-nitro-1,3-benzothiazol-2-yl)carbamothioyl]-1-benzofuran-2-carboxamide, N-[[(6-Nitro-2-benzothiazolyl)amino]thioxomethyl]-2-benzofurancarboxamide
| Molecular Formula | C17H10N4O4S2 |
|---|---|
| Molecular Weight | 398.01 g/mol |
| LogP | 4.0775 |
| Topological Polar Surface Area | 110.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 398.01434 |
| Heavy Atoms | 27 |
| Complexity | 1181.0752 |
Chemical Identifiers
| CAS Number | 879617-02-4 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=C(O2)C(=O)NC(=S)NC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-] |
Product Overview
N-[(6-nitro-1,3-benzothiazol-2-yl)carbamothioyl]-1-benzofuran-2-carboxamide (CAS 879617-02-4), with molecular formula C17H10N4O4S2 and molecular weight 398.01 g/mol. IUPAC: N-[(6-nitro-1,3-benzothiazol-2-yl)carbamothioyl]-1-benzofuran-2-carboxamide.
Chemical Property Profile of N-[(6-nitro-1,3-benzothiazol-2-yl)carbamothioyl]-1-benzofuran-2-carboxamide
Property Insights of N-[(6-nitro-1,3-benzothiazol-2-yl)carbamothioyl]-1-benzofuran-2-carboxamide
The XLogP value of 4.0775 indicates that N-[(6-nitro-1,3-benzothiazol-2-yl)carbamothioyl]-1-benzofuran-2-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 110.3 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[(6-nitro-1,3-benzothiazol-2-yl)carbamothioyl]-1-benzofuran-2-carboxamide. Following Lipinski's Rule of Five, N-[(6-nitro-1,3-benzothiazol-2-yl)carbamothioyl]-1-benzofuran-2-carboxamide has 2 hydrogen bond donor(s) and 7 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 N-[(6-nitro-1,3-benzothiazol-2-yl)carbamothioyl]-1-benzofuran-2-carboxamide?
The CAS number of N-[(6-nitro-1,3-benzothiazol-2-yl)carbamothioyl]-1-benzofuran-2-carboxamide is 879617-02-4.
What is the molecular formula of N-[(6-nitro-1,3-benzothiazol-2-yl)carbamothioyl]-1-benzofuran-2-carboxamide?
The molecular formula of N-[(6-nitro-1,3-benzothiazol-2-yl)carbamothioyl]-1-benzofuran-2-carboxamide is C17H10N4O4S2.
What is the molecular weight of N-[(6-nitro-1,3-benzothiazol-2-yl)carbamothioyl]-1-benzofuran-2-carboxamide?
The molecular weight of N-[(6-nitro-1,3-benzothiazol-2-yl)carbamothioyl]-1-benzofuran-2-carboxamide is 398.01 g/mol.
Where can I buy N-[(6-nitro-1,3-benzothiazol-2-yl)carbamothioyl]-1-benzofuran-2-carboxamide?
You can request a quote for N-[(6-nitro-1,3-benzothiazol-2-yl)carbamothioyl]-1-benzofuran-2-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[(6-nitro-1,3-benzothiazol-2-yl)carbamothioyl]-1-benzofuran-2-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-[(6-nitro-1,3-benzothiazol-2-yl)carbamothioyl]-1-benzofuran-2-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.