![N-(2-chloro-4,6-dimethylphenyl)-2-(3-methyl-4-oxo(3,5,6,7,8-pentahydrobenzo[b] thiopheno[2,3-d]pyrimidin-2-ylthio))acetamide structure](/static/products/5736/573669-01-9.webp)
N-(2-chloro-4,6-dimethylphenyl)-2-(3-methyl-4-oxo(3,5,6,7,8-pentahydrobenzo[b] thiopheno[2,3-d]pyrimidin-2-ylthio))acetamide
TL;DR: N-(2-chloro-4,6-dimethylphenyl)-2-(3-methyl-4-oxo(3,5,6,7,8-pentahydrobenzo[b] thiopheno[2,3-d]pyrimidin-2-ylthio))acetamide (CAS 573669-01-9) is a chemical compound with molecular formula C21H22ClN3O2S2 and molecular weight 447.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-chloro-4,6-dimethylphenyl)-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-chloro-4,6-dimethylphenyl)-2-(3-methyl-4-oxo(3,5,6,7,8-pentahydrobenzo[b] thiopheno[2,3-d]pyrimidin-2-ylthio))acetamide, N-(2-chloro-4,6-dimethylphenyl)-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-chloro-4,6-dimethylphenyl)-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-chloro-4,6-dimethylphenyl)-2-[(3-methyl-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide, N-(2-chloro-4,6-dimethylphenyl)-2-[(3-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide
| Molecular Formula | C21H22ClN3O2S2 |
|---|---|
| Molecular Weight | 447.08 g/mol |
| LogP | 4.87484 |
| Topological Polar Surface Area | 63.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 447.0842 |
| Heavy Atoms | 29 |
| Complexity | 1159.8585 |
Chemical Identifiers
| CAS Number | 573669-01-9 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1)Cl)NC(=O)CSC2=NC3=C(C4=C(S3)CCCC4)C(=O)N2C)C |
Product Overview
N-(2-chloro-4,6-dimethylphenyl)-2-(3-methyl-4-oxo(3,5,6,7,8-pentahydrobenzo[b] thiopheno[2,3-d]pyrimidin-2-ylthio))acetamide (CAS 573669-01-9), with molecular formula C21H22ClN3O2S2 and molecular weight 447.08 g/mol. IUPAC: N-(2-chloro-4,6-dimethylphenyl)-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-chloro-4,6-dimethylphenyl)-2-(3-methyl-4-oxo(3,5,6,7,8-pentahydrobenzo[b] thiopheno[2,3-d]pyrimidin-2-ylthio))acetamide
Property Insights of N-(2-chloro-4,6-dimethylphenyl)-2-(3-methyl-4-oxo(3,5,6,7,8-pentahydrobenzo[b] thiopheno[2,3-d]pyrimidin-2-ylthio))acetamide
The XLogP value of 4.87484 indicates that N-(2-chloro-4,6-dimethylphenyl)-2-(3-methyl-4-oxo(3,5,6,7,8-pentahydrobenzo[b] thiopheno[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-chloro-4,6-dimethylphenyl)-2-(3-methyl-4-oxo(3,5,6,7,8-pentahydrobenzo[b] thiopheno[2,3-d]pyrimidin-2-ylthio))acetamide. Following Lipinski's Rule of Five, N-(2-chloro-4,6-dimethylphenyl)-2-(3-methyl-4-oxo(3,5,6,7,8-pentahydrobenzo[b] thiopheno[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-chloro-4,6-dimethylphenyl)-2-(3-methyl-4-oxo(3,5,6,7,8-pentahydrobenzo[b] thiopheno[2,3-d]pyrimidin-2-ylthio))acetamide?
The CAS number of N-(2-chloro-4,6-dimethylphenyl)-2-(3-methyl-4-oxo(3,5,6,7,8-pentahydrobenzo[b] thiopheno[2,3-d]pyrimidin-2-ylthio))acetamide is 573669-01-9.
What is the molecular formula of N-(2-chloro-4,6-dimethylphenyl)-2-(3-methyl-4-oxo(3,5,6,7,8-pentahydrobenzo[b] thiopheno[2,3-d]pyrimidin-2-ylthio))acetamide?
The molecular formula of N-(2-chloro-4,6-dimethylphenyl)-2-(3-methyl-4-oxo(3,5,6,7,8-pentahydrobenzo[b] thiopheno[2,3-d]pyrimidin-2-ylthio))acetamide is C21H22ClN3O2S2.
What is the molecular weight of N-(2-chloro-4,6-dimethylphenyl)-2-(3-methyl-4-oxo(3,5,6,7,8-pentahydrobenzo[b] thiopheno[2,3-d]pyrimidin-2-ylthio))acetamide?
The molecular weight of N-(2-chloro-4,6-dimethylphenyl)-2-(3-methyl-4-oxo(3,5,6,7,8-pentahydrobenzo[b] thiopheno[2,3-d]pyrimidin-2-ylthio))acetamide is 447.08 g/mol.
Where can I buy N-(2-chloro-4,6-dimethylphenyl)-2-(3-methyl-4-oxo(3,5,6,7,8-pentahydrobenzo[b] thiopheno[2,3-d]pyrimidin-2-ylthio))acetamide?
You can request a quote for N-(2-chloro-4,6-dimethylphenyl)-2-(3-methyl-4-oxo(3,5,6,7,8-pentahydrobenzo[b] thiopheno[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-chloro-4,6-dimethylphenyl)-2-(3-methyl-4-oxo(3,5,6,7,8-pentahydrobenzo[b] thiopheno[2,3-d]pyrimidin-2-ylthio))acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(2-chloro-4,6-dimethylphenyl)-2-(3-methyl-4-oxo(3,5,6,7,8-pentahydrobenzo[b] thiopheno[2,3-d]pyrimidin-2-ylthio))acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.