![N-(3-chloro-4-fluorophenyl)-2-(3-methyl-4-oxo(3,5,6,7,8-pentahydrobenzo[b]thio pheno[2,3-d]pyrimidin-2-ylthio))acetamide structure](/static/products/5779/577989-12-9.webp)
N-(3-chloro-4-fluorophenyl)-2-(3-methyl-4-oxo(3,5,6,7,8-pentahydrobenzo[b]thio pheno[2,3-d]pyrimidin-2-ylthio))acetamide
TL;DR: N-(3-chloro-4-fluorophenyl)-2-(3-methyl-4-oxo(3,5,6,7,8-pentahydrobenzo[b]thio pheno[2,3-d]pyrimidin-2-ylthio))acetamide (CAS 577989-12-9) is a chemical compound with molecular formula C19H17ClFN3O2S2 and molecular weight 437.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-chloro-4-fluorophenyl)-2-[(3-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide
Also Known As: N-(3-chloro-4-fluorophenyl)-2-(3-methyl-4-oxo(3,5,6,7,8-pentahydrobenzo[b]thio pheno[2,3-d]pyrimidin-2-ylthio))acetamide, N-(3-chloro-4-fluorophenyl)-2-((3-methyl-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetamide, N-(3-chloro-4-fluorophenyl)-2-[(3-methyl-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide, N-(3-chloro-4-fluorophenyl)-2-[(3-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide
| Molecular Formula | C19H17ClFN3O2S2 |
|---|---|
| Molecular Weight | 437.04 g/mol |
| LogP | 4.3971 |
| Topological Polar Surface Area | 63.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 437.0435 |
| Heavy Atoms | 28 |
| Complexity | 1142.3896 |
Chemical Identifiers
| CAS Number | 577989-12-9 |
|---|---|
| SMILES | CN1C(=O)C2=C(N=C1SCC(=O)NC3=CC(=C(C=C3)F)Cl)SC4=C2CCCC4 |
Product Overview
N-(3-chloro-4-fluorophenyl)-2-(3-methyl-4-oxo(3,5,6,7,8-pentahydrobenzo[b]thio pheno[2,3-d]pyrimidin-2-ylthio))acetamide (CAS 577989-12-9), with molecular formula C19H17ClFN3O2S2 and molecular weight 437.04 g/mol. IUPAC: N-(3-chloro-4-fluorophenyl)-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-(3-chloro-4-fluorophenyl)-2-(3-methyl-4-oxo(3,5,6,7,8-pentahydrobenzo[b]thio pheno[2,3-d]pyrimidin-2-ylthio))acetamide
Property Insights of N-(3-chloro-4-fluorophenyl)-2-(3-methyl-4-oxo(3,5,6,7,8-pentahydrobenzo[b]thio pheno[2,3-d]pyrimidin-2-ylthio))acetamide
The XLogP value of 4.3971 indicates that N-(3-chloro-4-fluorophenyl)-2-(3-methyl-4-oxo(3,5,6,7,8-pentahydrobenzo[b]thio pheno[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-(3-chloro-4-fluorophenyl)-2-(3-methyl-4-oxo(3,5,6,7,8-pentahydrobenzo[b]thio pheno[2,3-d]pyrimidin-2-ylthio))acetamide. Following Lipinski's Rule of Five, N-(3-chloro-4-fluorophenyl)-2-(3-methyl-4-oxo(3,5,6,7,8-pentahydrobenzo[b]thio pheno[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-(3-chloro-4-fluorophenyl)-2-(3-methyl-4-oxo(3,5,6,7,8-pentahydrobenzo[b]thio pheno[2,3-d]pyrimidin-2-ylthio))acetamide?
The CAS number of N-(3-chloro-4-fluorophenyl)-2-(3-methyl-4-oxo(3,5,6,7,8-pentahydrobenzo[b]thio pheno[2,3-d]pyrimidin-2-ylthio))acetamide is 577989-12-9.
What is the molecular formula of N-(3-chloro-4-fluorophenyl)-2-(3-methyl-4-oxo(3,5,6,7,8-pentahydrobenzo[b]thio pheno[2,3-d]pyrimidin-2-ylthio))acetamide?
The molecular formula of N-(3-chloro-4-fluorophenyl)-2-(3-methyl-4-oxo(3,5,6,7,8-pentahydrobenzo[b]thio pheno[2,3-d]pyrimidin-2-ylthio))acetamide is C19H17ClFN3O2S2.
What is the molecular weight of N-(3-chloro-4-fluorophenyl)-2-(3-methyl-4-oxo(3,5,6,7,8-pentahydrobenzo[b]thio pheno[2,3-d]pyrimidin-2-ylthio))acetamide?
The molecular weight of N-(3-chloro-4-fluorophenyl)-2-(3-methyl-4-oxo(3,5,6,7,8-pentahydrobenzo[b]thio pheno[2,3-d]pyrimidin-2-ylthio))acetamide is 437.04 g/mol.
Where can I buy N-(3-chloro-4-fluorophenyl)-2-(3-methyl-4-oxo(3,5,6,7,8-pentahydrobenzo[b]thio pheno[2,3-d]pyrimidin-2-ylthio))acetamide?
You can request a quote for N-(3-chloro-4-fluorophenyl)-2-(3-methyl-4-oxo(3,5,6,7,8-pentahydrobenzo[b]thio pheno[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-(3-chloro-4-fluorophenyl)-2-(3-methyl-4-oxo(3,5,6,7,8-pentahydrobenzo[b]thio pheno[2,3-d]pyrimidin-2-ylthio))acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(3-chloro-4-fluorophenyl)-2-(3-methyl-4-oxo(3,5,6,7,8-pentahydrobenzo[b]thio pheno[2,3-d]pyrimidin-2-ylthio))acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.