![6-(tert-Butyl)-2-(2-chloroacetamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide structure](/static/products/5495/549515-99-3.webp)
6-(tert-Butyl)-2-(2-chloroacetamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide
TL;DR: 6-(tert-Butyl)-2-(2-chloroacetamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide (CAS 549515-99-3) is a chemical compound with molecular formula C15H21ClN2O2S and molecular weight 328.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-tert-butyl-2-[(2-chloroacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Also Known As: 6-(tert-Butyl)-2-(2-chloroacetamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide, 6-tert-butyl-2-[(2-chloroacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide, 2-[(2-chloroacetyl)amino]-6-tert-butyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide, 6-(tert-butyl)-2-(2-chloroacetylamino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-c arboxamide, 6-tert-butyl-2-[(2-chloroacetyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide
| Molecular Formula | C15H21ClN2O2S |
|---|---|
| Molecular Weight | 328.10 g/mol |
| LogP | 3.1753 |
| Topological Polar Surface Area | 72.19 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 328.10123 |
| Heavy Atoms | 21 |
| Complexity | 574.9641 |
Chemical Identifiers
| CAS Number | 549515-99-3 |
|---|---|
| SMILES | CC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)CCl |
Product Overview
6-(tert-Butyl)-2-(2-chloroacetamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide (CAS 549515-99-3), with molecular formula C15H21ClN2O2S and molecular weight 328.10 g/mol. IUPAC: 6-tert-butyl-2-[(2-chloroacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.
Chemical Property Profile of 6-(tert-Butyl)-2-(2-chloroacetamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide
Property Insights of 6-(tert-Butyl)-2-(2-chloroacetamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide
The XLogP value of 3.1753 indicates that 6-(tert-Butyl)-2-(2-chloroacetamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.19 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-(tert-Butyl)-2-(2-chloroacetamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide. Following Lipinski's Rule of Five, 6-(tert-Butyl)-2-(2-chloroacetamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide has 2 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 6-(tert-Butyl)-2-(2-chloroacetamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide?
The CAS number of 6-(tert-Butyl)-2-(2-chloroacetamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide is 549515-99-3.
What is the molecular formula of 6-(tert-Butyl)-2-(2-chloroacetamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide?
The molecular formula of 6-(tert-Butyl)-2-(2-chloroacetamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide is C15H21ClN2O2S.
What is the molecular weight of 6-(tert-Butyl)-2-(2-chloroacetamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide?
The molecular weight of 6-(tert-Butyl)-2-(2-chloroacetamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide is 328.10 g/mol.
Where can I buy 6-(tert-Butyl)-2-(2-chloroacetamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide?
You can request a quote for 6-(tert-Butyl)-2-(2-chloroacetamido)-4,5,6,7-tetrahydrobenzo[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 6-(tert-Butyl)-2-(2-chloroacetamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 6-(tert-Butyl)-2-(2-chloroacetamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.