![3,5-dimethyl-N-(3-((pyridin-3-ylmethyl)carbamoyl)-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)benzofuran-2-carboxamide structure](/static/products/6205/620586-33-6.webp)
3,5-dimethyl-N-(3-((pyridin-3-ylmethyl)carbamoyl)-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)benzofuran-2-carboxamide
TL;DR: 3,5-dimethyl-N-(3-((pyridin-3-ylmethyl)carbamoyl)-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)benzofuran-2-carboxamide (CAS 620586-33-6) is a chemical compound with molecular formula C26H25N3O3S and molecular weight 459.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-dimethyl-N-[3-(pyridin-3-ylmethylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1-benzofuran-2-carboxamide
Also Known As: 3,5-dimethyl-N-(3-((pyridin-3-ylmethyl)carbamoyl)-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)benzofuran-2-carboxamide, 3,5-dimethyl-N-(3-{[(pyridin-3-yl)methyl]carbamoyl}-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-benzofuran-2-carboxamide, 3,5-dimethyl-N-[3-(pyridin-3-ylmethylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1-benzofuran-2-carboxamide, 3,5-dimethyl-N-(3-{[(3-pyridinylmethyl)amino]carbonyl}-4,5,6,7-tetrahydro-1-benzothien-2-yl)-1-benzofuran-2-carboxamide, 3,5-dimethyl-N-{3-[(pyridin-3-ylmethyl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}-1-benzofuran-2-carboxamide
| Molecular Formula | C26H25N3O3S |
|---|---|
| Molecular Weight | 459.16 g/mol |
| LogP | 5.56724 |
| Topological Polar Surface Area | 84.23 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 459.16165 |
| Heavy Atoms | 33 |
| Complexity | 1354.3748 |
Chemical Identifiers
| CAS Number | 620586-33-6 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)OC(=C2C)C(=O)NC3=C(C4=C(S3)CCCC4)C(=O)NCC5=CN=CC=C5 |
Product Overview
3,5-dimethyl-N-(3-((pyridin-3-ylmethyl)carbamoyl)-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)benzofuran-2-carboxamide (CAS 620586-33-6), with molecular formula C26H25N3O3S and molecular weight 459.16 g/mol. IUPAC: 3,5-dimethyl-N-[3-(pyridin-3-ylmethylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1-benzofuran-2-carboxamide.
Chemical Property Profile of 3,5-dimethyl-N-(3-((pyridin-3-ylmethyl)carbamoyl)-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)benzofuran-2-carboxamide
Property Insights of 3,5-dimethyl-N-(3-((pyridin-3-ylmethyl)carbamoyl)-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)benzofuran-2-carboxamide
The XLogP value of 5.56724 indicates that 3,5-dimethyl-N-(3-((pyridin-3-ylmethyl)carbamoyl)-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)benzofuran-2-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.23 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,5-dimethyl-N-(3-((pyridin-3-ylmethyl)carbamoyl)-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)benzofuran-2-carboxamide. Following Lipinski's Rule of Five, 3,5-dimethyl-N-(3-((pyridin-3-ylmethyl)carbamoyl)-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)benzofuran-2-carboxamide has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3,5-dimethyl-N-(3-((pyridin-3-ylmethyl)carbamoyl)-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)benzofuran-2-carboxamide?
The CAS number of 3,5-dimethyl-N-(3-((pyridin-3-ylmethyl)carbamoyl)-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)benzofuran-2-carboxamide is 620586-33-6.
What is the molecular formula of 3,5-dimethyl-N-(3-((pyridin-3-ylmethyl)carbamoyl)-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)benzofuran-2-carboxamide?
The molecular formula of 3,5-dimethyl-N-(3-((pyridin-3-ylmethyl)carbamoyl)-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)benzofuran-2-carboxamide is C26H25N3O3S.
What is the molecular weight of 3,5-dimethyl-N-(3-((pyridin-3-ylmethyl)carbamoyl)-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)benzofuran-2-carboxamide?
The molecular weight of 3,5-dimethyl-N-(3-((pyridin-3-ylmethyl)carbamoyl)-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)benzofuran-2-carboxamide is 459.16 g/mol.
Where can I buy 3,5-dimethyl-N-(3-((pyridin-3-ylmethyl)carbamoyl)-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)benzofuran-2-carboxamide?
You can request a quote for 3,5-dimethyl-N-(3-((pyridin-3-ylmethyl)carbamoyl)-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)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 3,5-dimethyl-N-(3-((pyridin-3-ylmethyl)carbamoyl)-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)benzofuran-2-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 3,5-dimethyl-N-(3-((pyridin-3-ylmethyl)carbamoyl)-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)benzofuran-2-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.