![N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-nitrothiophene-2-carboxamide structure](/static/products/3259/325988-62-3.webp)
N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-nitrothiophene-2-carboxamide
TL;DR: N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-nitrothiophene-2-carboxamide (CAS 325988-62-3) is a chemical compound with molecular formula C20H15N3O3S3 and molecular weight 441.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-nitrothiophene-2-carboxamide
Also Known As: N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-nitrothiophene-2-carboxamide, F0289-0428, N-(3-(benzo[d]thiazol-2-yl)-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-5-nitrothiophene-2-carboxamide, N-(3-benzothiazol-2-yl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-5-nitro-thiophene-2-carboxamide
| Molecular Formula | C20H15N3O3S3 |
|---|---|
| Molecular Weight | 441.03 g/mol |
| LogP | 6.1256 |
| Topological Polar Surface Area | 85.13 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 441.02756 |
| Heavy Atoms | 29 |
| Complexity | 1221.3685 |
Chemical Identifiers
| CAS Number | 325988-62-3 |
|---|---|
| SMILES | C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC=C(S3)[N+](=O)[O-])C4=NC5=CC=CC=C5S4 |
Product Overview
N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-nitrothiophene-2-carboxamide (CAS 325988-62-3), with molecular formula C20H15N3O3S3 and molecular weight 441.03 g/mol. IUPAC: N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-nitrothiophene-2-carboxamide.
Chemical Property Profile of N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-nitrothiophene-2-carboxamide
Property Insights of N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-nitrothiophene-2-carboxamide
The XLogP value of 6.1256 indicates that N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-nitrothiophene-2-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.13 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-nitrothiophene-2-carboxamide. Following Lipinski's Rule of Five, N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-nitrothiophene-2-carboxamide has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-nitrothiophene-2-carboxamide?
The CAS number of N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-nitrothiophene-2-carboxamide is 325988-62-3.
What is the molecular formula of N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-nitrothiophene-2-carboxamide?
The molecular formula of N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-nitrothiophene-2-carboxamide is C20H15N3O3S3.
What is the molecular weight of N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-nitrothiophene-2-carboxamide?
The molecular weight of N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-nitrothiophene-2-carboxamide is 441.03 g/mol.
Where can I buy N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-nitrothiophene-2-carboxamide?
You can request a quote for N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-nitrothiophene-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-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-nitrothiophene-2-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-nitrothiophene-2-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.