![N-(6-(tert-butyl)-3-carbamoyl-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-3,6-dichlorobenzo[b]thiophene-2-carboxamide structure](/static/products/845/845669-54-7.png)
N-(6-(tert-butyl)-3-carbamoyl-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-3,6-dichlorobenzo[b]thiophene-2-carboxamide
TL;DR: N-(6-(tert-butyl)-3-carbamoyl-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-3,6-dichlorobenzo[b]thiophene-2-carboxamide (CAS 845669-54-7) is a chemical compound with molecular formula C22H22Cl2N2O2S2 and molecular weight 480.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(6-tert-butyl-3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3,6-dichloro-1-benzothiophene-2-carboxamide
Also Known As: N-(6-(tert-butyl)-3-carbamoyl-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-3,6-dichlorobenzo[b]thiophene-2-carboxamide, N-(6-tert-butyl-3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3,6-dichloro-1-benzothiophene-2-carboxamide
| Molecular Formula | C22H22Cl2N2O2S2 |
|---|---|
| Molecular Weight | 480.05 g/mol |
| LogP | 6.7718 |
| Topological Polar Surface Area | 72.19 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 480.05 |
| Heavy Atoms | 30 |
| Complexity | 1174.2101 |
Chemical Identifiers
| CAS Number | 845669-54-7 |
|---|---|
| SMILES | CC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=C(C4=C(S3)C=C(C=C4)Cl)Cl |
Product Overview
N-(6-(tert-butyl)-3-carbamoyl-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-3,6-dichlorobenzo[b]thiophene-2-carboxamide (CAS 845669-54-7), with molecular formula C22H22Cl2N2O2S2 and molecular weight 480.05 g/mol. IUPAC: N-(6-tert-butyl-3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3,6-dichloro-1-benzothiophene-2-carboxamide.
Chemical Property Profile of N-(6-(tert-butyl)-3-carbamoyl-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-3,6-dichlorobenzo[b]thiophene-2-carboxamide
Property Insights of N-(6-(tert-butyl)-3-carbamoyl-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-3,6-dichlorobenzo[b]thiophene-2-carboxamide
The XLogP value of 6.7718 indicates that N-(6-(tert-butyl)-3-carbamoyl-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-3,6-dichlorobenzo[b]thiophene-2-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 N-(6-(tert-butyl)-3-carbamoyl-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-3,6-dichlorobenzo[b]thiophene-2-carboxamide. Following Lipinski's Rule of Five, N-(6-(tert-butyl)-3-carbamoyl-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-3,6-dichlorobenzo[b]thiophene-2-carboxamide has 2 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 N-(6-(tert-butyl)-3-carbamoyl-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-3,6-dichlorobenzo[b]thiophene-2-carboxamide?
The CAS number of N-(6-(tert-butyl)-3-carbamoyl-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-3,6-dichlorobenzo[b]thiophene-2-carboxamide is 845669-54-7.
What is the molecular formula of N-(6-(tert-butyl)-3-carbamoyl-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-3,6-dichlorobenzo[b]thiophene-2-carboxamide?
The molecular formula of N-(6-(tert-butyl)-3-carbamoyl-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-3,6-dichlorobenzo[b]thiophene-2-carboxamide is C22H22Cl2N2O2S2.
What is the molecular weight of N-(6-(tert-butyl)-3-carbamoyl-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-3,6-dichlorobenzo[b]thiophene-2-carboxamide?
The molecular weight of N-(6-(tert-butyl)-3-carbamoyl-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-3,6-dichlorobenzo[b]thiophene-2-carboxamide is 480.05 g/mol.
Where can I buy N-(6-(tert-butyl)-3-carbamoyl-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-3,6-dichlorobenzo[b]thiophene-2-carboxamide?
You can request a quote for N-(6-(tert-butyl)-3-carbamoyl-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-3,6-dichlorobenzo[b]thiophene-2-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(6-(tert-butyl)-3-carbamoyl-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-3,6-dichlorobenzo[b]thiophene-2-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-(6-(tert-butyl)-3-carbamoyl-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-3,6-dichlorobenzo[b]thiophene-2-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.