![6-tert-butyl-N-(2,4-dimethoxyphenyl)-2-{[(4-methylpiperazin-1-yl)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide structure](/static/products/5246/524688-30-0.webp)
6-tert-butyl-N-(2,4-dimethoxyphenyl)-2-{[(4-methylpiperazin-1-yl)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
TL;DR: 6-tert-butyl-N-(2,4-dimethoxyphenyl)-2-{[(4-methylpiperazin-1-yl)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide (CAS 524688-30-0) is a chemical compound with molecular formula C28H40N4O4S and molecular weight 528.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-tert-butyl-N-(2,4-dimethoxyphenyl)-2-[[2-(4-methylpiperazin-1-yl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Also Known As: 6-tert-butyl-N-(2,4-dimethoxyphenyl)-2-{[(4-methylpiperazin-1-yl)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide, 6-tert-butyl-N-(2,4-dimethoxyphenyl)-2-[[2-(4-methylpiperazin-1-yl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide, N-{3-[N-(2,4-dimethoxyphenyl)carbamoyl]-6-(tert-butyl)(4,5,6,7-tetrahydrobenzo [b]thiophen-2-yl)}-2-(4-methylpiperazinyl)acetamide
| Molecular Formula | C28H40N4O4S |
|---|---|
| Molecular Weight | 528.28 g/mol |
| LogP | 4.3545 |
| Topological Polar Surface Area | 83.14 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 528.27704 |
| Heavy Atoms | 37 |
| Complexity | 1131.9324 |
Chemical Identifiers
| CAS Number | 524688-30-0 |
|---|---|
| SMILES | CC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)NC3=C(C=C(C=C3)OC)OC)NC(=O)CN4CCN(CC4)C |
Product Overview
6-tert-butyl-N-(2,4-dimethoxyphenyl)-2-{[(4-methylpiperazin-1-yl)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide (CAS 524688-30-0), with molecular formula C28H40N4O4S and molecular weight 528.28 g/mol. IUPAC: 6-tert-butyl-N-(2,4-dimethoxyphenyl)-2-[[2-(4-methylpiperazin-1-yl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.
Chemical Property Profile of 6-tert-butyl-N-(2,4-dimethoxyphenyl)-2-{[(4-methylpiperazin-1-yl)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Property Insights of 6-tert-butyl-N-(2,4-dimethoxyphenyl)-2-{[(4-methylpiperazin-1-yl)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
The XLogP value of 4.3545 indicates that 6-tert-butyl-N-(2,4-dimethoxyphenyl)-2-{[(4-methylpiperazin-1-yl)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.14 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-tert-butyl-N-(2,4-dimethoxyphenyl)-2-{[(4-methylpiperazin-1-yl)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide. Following Lipinski's Rule of Five, 6-tert-butyl-N-(2,4-dimethoxyphenyl)-2-{[(4-methylpiperazin-1-yl)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 6-tert-butyl-N-(2,4-dimethoxyphenyl)-2-{[(4-methylpiperazin-1-yl)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The CAS number of 6-tert-butyl-N-(2,4-dimethoxyphenyl)-2-{[(4-methylpiperazin-1-yl)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is 524688-30-0.
What is the molecular formula of 6-tert-butyl-N-(2,4-dimethoxyphenyl)-2-{[(4-methylpiperazin-1-yl)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The molecular formula of 6-tert-butyl-N-(2,4-dimethoxyphenyl)-2-{[(4-methylpiperazin-1-yl)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is C28H40N4O4S.
What is the molecular weight of 6-tert-butyl-N-(2,4-dimethoxyphenyl)-2-{[(4-methylpiperazin-1-yl)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The molecular weight of 6-tert-butyl-N-(2,4-dimethoxyphenyl)-2-{[(4-methylpiperazin-1-yl)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is 528.28 g/mol.
Where can I buy 6-tert-butyl-N-(2,4-dimethoxyphenyl)-2-{[(4-methylpiperazin-1-yl)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
You can request a quote for 6-tert-butyl-N-(2,4-dimethoxyphenyl)-2-{[(4-methylpiperazin-1-yl)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-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-N-(2,4-dimethoxyphenyl)-2-{[(4-methylpiperazin-1-yl)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 6-tert-butyl-N-(2,4-dimethoxyphenyl)-2-{[(4-methylpiperazin-1-yl)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.