5-bromo-N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)furan-2-carboxamide
TL;DR: 5-bromo-N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)furan-2-carboxamide (CAS 354549-91-0) is a chemical compound with molecular formula C18H19BrN2O2S and molecular weight 406.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-bromo-N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)furan-2-carboxamide
Also Known As: 5-bromo-N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)furan-2-carboxamide, 5-bromo-N-[6-(tert-butyl)-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-furamide, 5-BROMO-N~2~-[6-(TERT-BUTYL)-3-CYANO-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHEN-2-YL]-2-FURAMIDE
| Molecular Formula | C18H19BrN2O2S |
|---|---|
| Molecular Weight | 406.04 g/mol |
| LogP | 5.37858 |
| Topological Polar Surface Area | 66.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 406.03506 |
| Heavy Atoms | 24 |
| Complexity | 823.16797 |
Chemical Identifiers
| CAS Number | 354549-91-0 |
|---|---|
| SMILES | CC(C)(C)C1CCC2=C(C1)SC(=C2C#N)NC(=O)C3=CC=C(O3)Br |
Product Overview
5-bromo-N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)furan-2-carboxamide (CAS 354549-91-0), with molecular formula C18H19BrN2O2S and molecular weight 406.04 g/mol. IUPAC: 5-bromo-N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)furan-2-carboxamide.
Chemical Property Profile of 5-bromo-N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)furan-2-carboxamide
Property Insights of 5-bromo-N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)furan-2-carboxamide
The XLogP value of 5.37858 indicates that 5-bromo-N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)furan-2-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.03 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-bromo-N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)furan-2-carboxamide. Following Lipinski's Rule of Five, 5-bromo-N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)furan-2-carboxamide has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-bromo-N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)furan-2-carboxamide?
The CAS number of 5-bromo-N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)furan-2-carboxamide is 354549-91-0.
What is the molecular formula of 5-bromo-N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)furan-2-carboxamide?
The molecular formula of 5-bromo-N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)furan-2-carboxamide is C18H19BrN2O2S.
What is the molecular weight of 5-bromo-N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)furan-2-carboxamide?
The molecular weight of 5-bromo-N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)furan-2-carboxamide is 406.04 g/mol.
Where can I buy 5-bromo-N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)furan-2-carboxamide?
You can request a quote for 5-bromo-N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)furan-2-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-bromo-N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)furan-2-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 5-bromo-N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)furan-2-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.