![N-[2-(tert-butyl)phenyl]-2-(3-methyl-4-oxo(3,5,6,7,8-pentahydrobenzo[b]thiophe no[2,3-d]pyrimidin-2-ylthio))acetamide structure](/static/products/7609/760950-78-5.webp)
N-[2-(tert-butyl)phenyl]-2-(3-methyl-4-oxo(3,5,6,7,8-pentahydrobenzo[b]thiophe no[2,3-d]pyrimidin-2-ylthio))acetamide
TL;DR: N-[2-(tert-butyl)phenyl]-2-(3-methyl-4-oxo(3,5,6,7,8-pentahydrobenzo[b]thiophe no[2,3-d]pyrimidin-2-ylthio))acetamide (CAS 760950-78-5) is a chemical compound with molecular formula C23H27N3O2S2 and molecular weight 441.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-tert-butylphenyl)-2-[(3-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide
Also Known As: N-[2-(tert-butyl)phenyl]-2-(3-methyl-4-oxo(3,5,6,7,8-pentahydrobenzo[b]thiophe no[2,3-d]pyrimidin-2-ylthio))acetamide, N-(2-(tert-butyl)phenyl)-2-((3-methyl-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetamide, N-(2-tert-butylphenyl)-2-({4-methyl-3-oxo-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),5-trien-5-yl}sulfanyl)acetamide, N-(2-tert-butylphenyl)-2-[(3-methyl-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide, N-(2-tert-butylphenyl)-2-[(3-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide
| Molecular Formula | C23H27N3O2S2 |
|---|---|
| Molecular Weight | 441.15 g/mol |
| LogP | 4.9021 |
| Topological Polar Surface Area | 63.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 441.15448 |
| Heavy Atoms | 30 |
| Complexity | 1171.6305 |
Chemical Identifiers
| CAS Number | 760950-78-5 |
|---|---|
| SMILES | CC(C)(C)C1=CC=CC=C1NC(=O)CSC2=NC3=C(C4=C(S3)CCCC4)C(=O)N2C |
Product Overview
N-[2-(tert-butyl)phenyl]-2-(3-methyl-4-oxo(3,5,6,7,8-pentahydrobenzo[b]thiophe no[2,3-d]pyrimidin-2-ylthio))acetamide (CAS 760950-78-5), with molecular formula C23H27N3O2S2 and molecular weight 441.15 g/mol. IUPAC: N-(2-tert-butylphenyl)-2-[(3-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide.
Chemical Property Profile of N-[2-(tert-butyl)phenyl]-2-(3-methyl-4-oxo(3,5,6,7,8-pentahydrobenzo[b]thiophe no[2,3-d]pyrimidin-2-ylthio))acetamide
Property Insights of N-[2-(tert-butyl)phenyl]-2-(3-methyl-4-oxo(3,5,6,7,8-pentahydrobenzo[b]thiophe no[2,3-d]pyrimidin-2-ylthio))acetamide
The XLogP value of 4.9021 indicates that N-[2-(tert-butyl)phenyl]-2-(3-methyl-4-oxo(3,5,6,7,8-pentahydrobenzo[b]thiophe no[2,3-d]pyrimidin-2-ylthio))acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.99 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[2-(tert-butyl)phenyl]-2-(3-methyl-4-oxo(3,5,6,7,8-pentahydrobenzo[b]thiophe no[2,3-d]pyrimidin-2-ylthio))acetamide. Following Lipinski's Rule of Five, N-[2-(tert-butyl)phenyl]-2-(3-methyl-4-oxo(3,5,6,7,8-pentahydrobenzo[b]thiophe no[2,3-d]pyrimidin-2-ylthio))acetamide has 1 hydrogen bond donor(s) and 5 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 N-[2-(tert-butyl)phenyl]-2-(3-methyl-4-oxo(3,5,6,7,8-pentahydrobenzo[b]thiophe no[2,3-d]pyrimidin-2-ylthio))acetamide?
The CAS number of N-[2-(tert-butyl)phenyl]-2-(3-methyl-4-oxo(3,5,6,7,8-pentahydrobenzo[b]thiophe no[2,3-d]pyrimidin-2-ylthio))acetamide is 760950-78-5.
What is the molecular formula of N-[2-(tert-butyl)phenyl]-2-(3-methyl-4-oxo(3,5,6,7,8-pentahydrobenzo[b]thiophe no[2,3-d]pyrimidin-2-ylthio))acetamide?
The molecular formula of N-[2-(tert-butyl)phenyl]-2-(3-methyl-4-oxo(3,5,6,7,8-pentahydrobenzo[b]thiophe no[2,3-d]pyrimidin-2-ylthio))acetamide is C23H27N3O2S2.
What is the molecular weight of N-[2-(tert-butyl)phenyl]-2-(3-methyl-4-oxo(3,5,6,7,8-pentahydrobenzo[b]thiophe no[2,3-d]pyrimidin-2-ylthio))acetamide?
The molecular weight of N-[2-(tert-butyl)phenyl]-2-(3-methyl-4-oxo(3,5,6,7,8-pentahydrobenzo[b]thiophe no[2,3-d]pyrimidin-2-ylthio))acetamide is 441.15 g/mol.
Where can I buy N-[2-(tert-butyl)phenyl]-2-(3-methyl-4-oxo(3,5,6,7,8-pentahydrobenzo[b]thiophe no[2,3-d]pyrimidin-2-ylthio))acetamide?
You can request a quote for N-[2-(tert-butyl)phenyl]-2-(3-methyl-4-oxo(3,5,6,7,8-pentahydrobenzo[b]thiophe no[2,3-d]pyrimidin-2-ylthio))acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[2-(tert-butyl)phenyl]-2-(3-methyl-4-oxo(3,5,6,7,8-pentahydrobenzo[b]thiophe no[2,3-d]pyrimidin-2-ylthio))acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-[2-(tert-butyl)phenyl]-2-(3-methyl-4-oxo(3,5,6,7,8-pentahydrobenzo[b]thiophe no[2,3-d]pyrimidin-2-ylthio))acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.