N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-iodobenzamide
TL;DR: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-iodobenzamide (CAS 313648-92-9) is a chemical compound with molecular formula C16H13IN2OS and molecular weight 407.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-iodobenzamide
Also Known As: BAS 00687104, dimethyl 5-(trimethylsilylethynyl)isophthalate, Benzamide, N-(3-cyano-4,5,6,7-tetrahydrobenzo[b]thien-2-yl)-3-iodo-, N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-iodobenzamide, Benzamide, 3-iodo-N-(4,5,6,7-tetrahydro-3-cyano-benzo[b]thiophen-2-yl)-
| Molecular Formula | C16H13IN2OS |
|---|---|
| Molecular Weight | 407.98 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 81.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 407.97934 |
| Heavy Atoms | 21 |
| Complexity | 449.0 |
Chemical Identifiers
| CAS Number | 313648-92-9 |
|---|---|
| SMILES | C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC(=CC=C3)I)C#N |
| InChIKey | WUMKXGWUJHOLCG-UHFFFAOYSA-N |
Product Overview
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-iodobenzamide (CAS 313648-92-9), with molecular formula C16H13IN2OS and molecular weight 407.98 g/mol. IUPAC: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-iodobenzamide.
Chemical Property Profile of N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-iodobenzamide
Property Insights of N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-iodobenzamide
The XLogP value of 4.9 indicates that N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-iodobenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.1 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-iodobenzamide. Following Lipinski's Rule of Five, N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-iodobenzamide has 1 hydrogen bond donor(s) and 3 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-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-iodobenzamide?
The CAS number of N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-iodobenzamide is 313648-92-9.
What is the molecular formula of N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-iodobenzamide?
The molecular formula of N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-iodobenzamide is C16H13IN2OS.
What is the molecular weight of N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-iodobenzamide?
The molecular weight of N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-iodobenzamide is 407.98 g/mol.
Where can I buy N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-iodobenzamide?
You can request a quote for N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-iodobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-iodobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-iodobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.