![N-[3-(1,3-benzothiazol-2-yl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-nitro-1-benzothiophene-2-carboxamide structure](/static/products/3299/329903-02-8.webp)
N-[3-(1,3-benzothiazol-2-yl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-nitro-1-benzothiophene-2-carboxamide
TL;DR: N-[3-(1,3-benzothiazol-2-yl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-nitro-1-benzothiophene-2-carboxamide (CAS 329903-02-8) is a chemical compound with molecular formula C25H19N3O3S3 and molecular weight 505.06 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)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-nitro-1-benzothiophene-2-carboxamide
Also Known As: N-[3-(1,3-benzothiazol-2-yl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-nitro-1-benzothiophene-2-carboxamide, F0463-0157, N-(3-(benzo[d]thiazol-2-yl)-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-5-nitrobenzo[b]thiophene-2-carboxamide
| Molecular Formula | C25H19N3O3S3 |
|---|---|
| Molecular Weight | 505.06 g/mol |
| LogP | 7.5248 |
| Topological Polar Surface Area | 85.13 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 505.05887 |
| Heavy Atoms | 34 |
| Complexity | 1564.0433 |
Chemical Identifiers
| CAS Number | 329903-02-8 |
|---|---|
| SMILES | CC1CCC2=C(C1)SC(=C2C3=NC4=CC=CC=C4S3)NC(=O)C5=CC6=C(S5)C=CC(=C6)[N+](=O)[O-] |
Product Overview
N-[3-(1,3-benzothiazol-2-yl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-nitro-1-benzothiophene-2-carboxamide (CAS 329903-02-8), with molecular formula C25H19N3O3S3 and molecular weight 505.06 g/mol. IUPAC: N-[3-(1,3-benzothiazol-2-yl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-nitro-1-benzothiophene-2-carboxamide.
Chemical Property Profile of N-[3-(1,3-benzothiazol-2-yl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-nitro-1-benzothiophene-2-carboxamide
Property Insights of N-[3-(1,3-benzothiazol-2-yl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-nitro-1-benzothiophene-2-carboxamide
The XLogP value of 7.5248 indicates that N-[3-(1,3-benzothiazol-2-yl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-nitro-1-benzothiophene-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)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-nitro-1-benzothiophene-2-carboxamide. Following Lipinski's Rule of Five, N-[3-(1,3-benzothiazol-2-yl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-nitro-1-benzothiophene-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)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-nitro-1-benzothiophene-2-carboxamide?
The CAS number of N-[3-(1,3-benzothiazol-2-yl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-nitro-1-benzothiophene-2-carboxamide is 329903-02-8.
What is the molecular formula of N-[3-(1,3-benzothiazol-2-yl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-nitro-1-benzothiophene-2-carboxamide?
The molecular formula of N-[3-(1,3-benzothiazol-2-yl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-nitro-1-benzothiophene-2-carboxamide is C25H19N3O3S3.
What is the molecular weight of N-[3-(1,3-benzothiazol-2-yl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-nitro-1-benzothiophene-2-carboxamide?
The molecular weight of N-[3-(1,3-benzothiazol-2-yl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-nitro-1-benzothiophene-2-carboxamide is 505.06 g/mol.
Where can I buy N-[3-(1,3-benzothiazol-2-yl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-nitro-1-benzothiophene-2-carboxamide?
You can request a quote for N-[3-(1,3-benzothiazol-2-yl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-nitro-1-benzothiophene-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)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-nitro-1-benzothiophene-2-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-[3-(1,3-benzothiazol-2-yl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-nitro-1-benzothiophene-2-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.