![N-(3,5-dichlorophenyl)-2-(4-oxo-3-prop-2-enyl(3,5,6,7,8-pentahydrobenzo[b]thio pheno[2,3-d]pyrimidin-2-ylthio))acetamide structure](/static/products/6777/677738-07-7.webp)
N-(3,5-dichlorophenyl)-2-(4-oxo-3-prop-2-enyl(3,5,6,7,8-pentahydrobenzo[b]thio pheno[2,3-d]pyrimidin-2-ylthio))acetamide
TL;DR: N-(3,5-dichlorophenyl)-2-(4-oxo-3-prop-2-enyl(3,5,6,7,8-pentahydrobenzo[b]thio pheno[2,3-d]pyrimidin-2-ylthio))acetamide (CAS 677738-07-7) is a chemical compound with molecular formula C21H19Cl2N3O2S2 and molecular weight 479.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3,5-dichlorophenyl)-2-[(4-oxo-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide
Also Known As: N-(3,5-dichlorophenyl)-2-(4-oxo-3-prop-2-enyl(3,5,6,7,8-pentahydrobenzo[b]thio pheno[2,3-d]pyrimidin-2-ylthio))acetamide, 2-((3-allyl-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N-(3,5-dichlorophenyl)acetamide, N-(3,5-dichlorophenyl)-2-[(4-oxo-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide, N-(3,5-dichlorophenyl)-2-{[3-oxo-4-(prop-2-en-1-yl)-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),5-trien-5-yl]sulfanyl}acetamide, N-(3,5-dichlorophenyl)-2-{[4-oxo-3-(prop-2-en-1-yl)-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamide
| Molecular Formula | C21H19Cl2N3O2S2 |
|---|---|
| Molecular Weight | 479.03 g/mol |
| LogP | 5.5604 |
| Topological Polar Surface Area | 63.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 479.02957 |
| Heavy Atoms | 30 |
| Complexity | 1182.9102 |
Chemical Identifiers
| CAS Number | 677738-07-7 |
|---|---|
| SMILES | C=CCN1C(=O)C2=C(N=C1SCC(=O)NC3=CC(=CC(=C3)Cl)Cl)SC4=C2CCCC4 |
Product Overview
N-(3,5-dichlorophenyl)-2-(4-oxo-3-prop-2-enyl(3,5,6,7,8-pentahydrobenzo[b]thio pheno[2,3-d]pyrimidin-2-ylthio))acetamide (CAS 677738-07-7), with molecular formula C21H19Cl2N3O2S2 and molecular weight 479.03 g/mol. IUPAC: N-(3,5-dichlorophenyl)-2-[(4-oxo-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide.
Chemical Property Profile of N-(3,5-dichlorophenyl)-2-(4-oxo-3-prop-2-enyl(3,5,6,7,8-pentahydrobenzo[b]thio pheno[2,3-d]pyrimidin-2-ylthio))acetamide
Property Insights of N-(3,5-dichlorophenyl)-2-(4-oxo-3-prop-2-enyl(3,5,6,7,8-pentahydrobenzo[b]thio pheno[2,3-d]pyrimidin-2-ylthio))acetamide
The XLogP value of 5.5604 indicates that N-(3,5-dichlorophenyl)-2-(4-oxo-3-prop-2-enyl(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-(3,5-dichlorophenyl)-2-(4-oxo-3-prop-2-enyl(3,5,6,7,8-pentahydrobenzo[b]thio pheno[2,3-d]pyrimidin-2-ylthio))acetamide. Following Lipinski's Rule of Five, N-(3,5-dichlorophenyl)-2-(4-oxo-3-prop-2-enyl(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), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-(3,5-dichlorophenyl)-2-(4-oxo-3-prop-2-enyl(3,5,6,7,8-pentahydrobenzo[b]thio pheno[2,3-d]pyrimidin-2-ylthio))acetamide?
The CAS number of N-(3,5-dichlorophenyl)-2-(4-oxo-3-prop-2-enyl(3,5,6,7,8-pentahydrobenzo[b]thio pheno[2,3-d]pyrimidin-2-ylthio))acetamide is 677738-07-7.
What is the molecular formula of N-(3,5-dichlorophenyl)-2-(4-oxo-3-prop-2-enyl(3,5,6,7,8-pentahydrobenzo[b]thio pheno[2,3-d]pyrimidin-2-ylthio))acetamide?
The molecular formula of N-(3,5-dichlorophenyl)-2-(4-oxo-3-prop-2-enyl(3,5,6,7,8-pentahydrobenzo[b]thio pheno[2,3-d]pyrimidin-2-ylthio))acetamide is C21H19Cl2N3O2S2.
What is the molecular weight of N-(3,5-dichlorophenyl)-2-(4-oxo-3-prop-2-enyl(3,5,6,7,8-pentahydrobenzo[b]thio pheno[2,3-d]pyrimidin-2-ylthio))acetamide?
The molecular weight of N-(3,5-dichlorophenyl)-2-(4-oxo-3-prop-2-enyl(3,5,6,7,8-pentahydrobenzo[b]thio pheno[2,3-d]pyrimidin-2-ylthio))acetamide is 479.03 g/mol.
Where can I buy N-(3,5-dichlorophenyl)-2-(4-oxo-3-prop-2-enyl(3,5,6,7,8-pentahydrobenzo[b]thio pheno[2,3-d]pyrimidin-2-ylthio))acetamide?
You can request a quote for N-(3,5-dichlorophenyl)-2-(4-oxo-3-prop-2-enyl(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-(3,5-dichlorophenyl)-2-(4-oxo-3-prop-2-enyl(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-(3,5-dichlorophenyl)-2-(4-oxo-3-prop-2-enyl(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.