![4,5,6,7-Tetrahydro-N-(3-methoxypropyl)-2-[[2-(2-nitrophenoxy)acetyl]amino]benzo[b]thiophene-3-carboxamide structure](/static/products/6906/690646-19-6.webp)
4,5,6,7-Tetrahydro-N-(3-methoxypropyl)-2-[[2-(2-nitrophenoxy)acetyl]amino]benzo[b]thiophene-3-carboxamide
TL;DR: 4,5,6,7-Tetrahydro-N-(3-methoxypropyl)-2-[[2-(2-nitrophenoxy)acetyl]amino]benzo[b]thiophene-3-carboxamide (CAS 690646-19-6) is a chemical compound with molecular formula C21H25N3O6S and molecular weight 447.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-methoxypropyl)-2-[[2-(2-nitrophenoxy)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Also Known As: 4,5,6,7-Tetrahydro-N-(3-methoxypropyl)-2-[[2-(2-nitrophenoxy)acetyl]amino]benzo[b]thiophene-3-carboxamide, N-(3-methoxypropyl)-2-{[(2-nitrophenoxy)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide, N-(3-methoxypropyl)-2-[[2-(2-nitrophenoxy)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
| Molecular Formula | C21H25N3O6S |
|---|---|
| Molecular Weight | 447.15 g/mol |
| LogP | 3.3189 |
| Topological Polar Surface Area | 119.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 447.1464 |
| Heavy Atoms | 31 |
| Complexity | 958.58685 |
Chemical Identifiers
| CAS Number | 690646-19-6 |
|---|---|
| SMILES | COCCCNC(=O)C1=C(SC2=C1CCCC2)NC(=O)COC3=CC=CC=C3[N+](=O)[O-] |
Product Overview
4,5,6,7-Tetrahydro-N-(3-methoxypropyl)-2-[[2-(2-nitrophenoxy)acetyl]amino]benzo[b]thiophene-3-carboxamide (CAS 690646-19-6), with molecular formula C21H25N3O6S and molecular weight 447.15 g/mol. IUPAC: N-(3-methoxypropyl)-2-[[2-(2-nitrophenoxy)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.
Chemical Property Profile of 4,5,6,7-Tetrahydro-N-(3-methoxypropyl)-2-[[2-(2-nitrophenoxy)acetyl]amino]benzo[b]thiophene-3-carboxamide
Property Insights of 4,5,6,7-Tetrahydro-N-(3-methoxypropyl)-2-[[2-(2-nitrophenoxy)acetyl]amino]benzo[b]thiophene-3-carboxamide
The XLogP value of 3.3189 indicates that 4,5,6,7-Tetrahydro-N-(3-methoxypropyl)-2-[[2-(2-nitrophenoxy)acetyl]amino]benzo[b]thiophene-3-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 119.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,5,6,7-Tetrahydro-N-(3-methoxypropyl)-2-[[2-(2-nitrophenoxy)acetyl]amino]benzo[b]thiophene-3-carboxamide. Following Lipinski's Rule of Five, 4,5,6,7-Tetrahydro-N-(3-methoxypropyl)-2-[[2-(2-nitrophenoxy)acetyl]amino]benzo[b]thiophene-3-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 4,5,6,7-Tetrahydro-N-(3-methoxypropyl)-2-[[2-(2-nitrophenoxy)acetyl]amino]benzo[b]thiophene-3-carboxamide?
The CAS number of 4,5,6,7-Tetrahydro-N-(3-methoxypropyl)-2-[[2-(2-nitrophenoxy)acetyl]amino]benzo[b]thiophene-3-carboxamide is 690646-19-6.
What is the molecular formula of 4,5,6,7-Tetrahydro-N-(3-methoxypropyl)-2-[[2-(2-nitrophenoxy)acetyl]amino]benzo[b]thiophene-3-carboxamide?
The molecular formula of 4,5,6,7-Tetrahydro-N-(3-methoxypropyl)-2-[[2-(2-nitrophenoxy)acetyl]amino]benzo[b]thiophene-3-carboxamide is C21H25N3O6S.
What is the molecular weight of 4,5,6,7-Tetrahydro-N-(3-methoxypropyl)-2-[[2-(2-nitrophenoxy)acetyl]amino]benzo[b]thiophene-3-carboxamide?
The molecular weight of 4,5,6,7-Tetrahydro-N-(3-methoxypropyl)-2-[[2-(2-nitrophenoxy)acetyl]amino]benzo[b]thiophene-3-carboxamide is 447.15 g/mol.
Where can I buy 4,5,6,7-Tetrahydro-N-(3-methoxypropyl)-2-[[2-(2-nitrophenoxy)acetyl]amino]benzo[b]thiophene-3-carboxamide?
You can request a quote for 4,5,6,7-Tetrahydro-N-(3-methoxypropyl)-2-[[2-(2-nitrophenoxy)acetyl]amino]benzo[b]thiophene-3-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,5,6,7-Tetrahydro-N-(3-methoxypropyl)-2-[[2-(2-nitrophenoxy)acetyl]amino]benzo[b]thiophene-3-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 4,5,6,7-Tetrahydro-N-(3-methoxypropyl)-2-[[2-(2-nitrophenoxy)acetyl]amino]benzo[b]thiophene-3-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.