N-(3-cyano-6-tert-butyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-4-(2-oxochromen-3-yl)benzamide
TL;DR: N-(3-cyano-6-tert-butyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-4-(2-oxochromen-3-yl)benzamide (CAS 848751-68-8) is a chemical compound with molecular formula C29H26N2O3S and molecular weight 482.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-(2-oxochromen-3-yl)benzamide
Also Known As: N-(3-cyano-6-tert-butyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-4-(2-oxochromen-3-yl)benzamide, N-(6-(tert-butyl)-3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-4-(2-oxo-2H-chromen-3-yl)benzamide, N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-4-(2-oxo-2H-chromen-3-yl)benzamide, N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-(2-oxo-2H-chromen-3-yl)benzamide, N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-(2-oxochromen-3-yl)benzamide
| Molecular Formula | C29H26N2O3S |
|---|---|
| Molecular Weight | 482.17 g/mol |
| LogP | 6.79648 |
| Topological Polar Surface Area | 83.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 482.1664 |
| Heavy Atoms | 35 |
| Complexity | 1531.6722 |
Chemical Identifiers
| CAS Number | 848751-68-8 |
|---|---|
| SMILES | CC(C)(C)C1CCC2=C(C1)SC(=C2C#N)NC(=O)C3=CC=C(C=C3)C4=CC5=CC=CC=C5OC4=O |
Product Overview
N-(3-cyano-6-tert-butyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-4-(2-oxochromen-3-yl)benzamide (CAS 848751-68-8), with molecular formula C29H26N2O3S and molecular weight 482.17 g/mol. IUPAC: N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-(2-oxochromen-3-yl)benzamide.
Chemical Property Profile of N-(3-cyano-6-tert-butyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-4-(2-oxochromen-3-yl)benzamide
Property Insights of N-(3-cyano-6-tert-butyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-4-(2-oxochromen-3-yl)benzamide
The XLogP value of 6.79648 indicates that N-(3-cyano-6-tert-butyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-4-(2-oxochromen-3-yl)benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.1 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(3-cyano-6-tert-butyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-4-(2-oxochromen-3-yl)benzamide. Following Lipinski's Rule of Five, N-(3-cyano-6-tert-butyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-4-(2-oxochromen-3-yl)benzamide has 1 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 N-(3-cyano-6-tert-butyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-4-(2-oxochromen-3-yl)benzamide?
The CAS number of N-(3-cyano-6-tert-butyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-4-(2-oxochromen-3-yl)benzamide is 848751-68-8.
What is the molecular formula of N-(3-cyano-6-tert-butyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-4-(2-oxochromen-3-yl)benzamide?
The molecular formula of N-(3-cyano-6-tert-butyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-4-(2-oxochromen-3-yl)benzamide is C29H26N2O3S.
What is the molecular weight of N-(3-cyano-6-tert-butyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-4-(2-oxochromen-3-yl)benzamide?
The molecular weight of N-(3-cyano-6-tert-butyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-4-(2-oxochromen-3-yl)benzamide is 482.17 g/mol.
Where can I buy N-(3-cyano-6-tert-butyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-4-(2-oxochromen-3-yl)benzamide?
You can request a quote for N-(3-cyano-6-tert-butyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-4-(2-oxochromen-3-yl)benzamide 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-6-tert-butyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-4-(2-oxochromen-3-yl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(3-cyano-6-tert-butyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-4-(2-oxochromen-3-yl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.