![(E)-2-((4-oxo-3-(p-tolyl)-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N'-(thiophen-2-ylmethylene)acetohydrazide structure](/static/products/4971/497166-95-7.webp)
(E)-2-((4-oxo-3-(p-tolyl)-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N'-(thiophen-2-ylmethylene)acetohydrazide
TL;DR: (E)-2-((4-oxo-3-(p-tolyl)-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N'-(thiophen-2-ylmethylene)acetohydrazide (CAS 497166-95-7) is a chemical compound with molecular formula C24H22N4O2S3 and molecular weight 494.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[3-(4-methylphenyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide
Also Known As: (E)-2-((4-oxo-3-(p-tolyl)-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N'-(thiophen-2-ylmethylene)acetohydrazide, 2-[[3-(4-methylphenyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide, 2-{[3-(4-methylphenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N'-[(Z)-thiophen-2-ylmethylidene]acetohydrazide, N-((1Z)-2-(2-thienyl)-1-azavinyl)-2-[3-(4-methylphenyl)-4-oxo(3,5,6,7,8-pentah ydrobenzo[b]thiopheno[2,3-d]pyrimidin-2-ylthio)]acetamide
| Molecular Formula | C24H22N4O2S3 |
|---|---|
| Molecular Weight | 494.09 g/mol |
| LogP | 4.93832 |
| Topological Polar Surface Area | 76.35 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 494.09048 |
| Heavy Atoms | 33 |
| Complexity | 1386.1011 |
Chemical Identifiers
| CAS Number | 497166-95-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=O)C3=C(N=C2SCC(=O)N/N=C\C4=CC=CS4)SC5=C3CCCC5 |
Product Overview
(E)-2-((4-oxo-3-(p-tolyl)-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N'-(thiophen-2-ylmethylene)acetohydrazide (CAS 497166-95-7), with molecular formula C24H22N4O2S3 and molecular weight 494.09 g/mol. IUPAC: 2-[[3-(4-methylphenyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide.
Chemical Property Profile of (E)-2-((4-oxo-3-(p-tolyl)-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N'-(thiophen-2-ylmethylene)acetohydrazide
Property Insights of (E)-2-((4-oxo-3-(p-tolyl)-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N'-(thiophen-2-ylmethylene)acetohydrazide
The XLogP value of 4.93832 indicates that (E)-2-((4-oxo-3-(p-tolyl)-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N'-(thiophen-2-ylmethylene)acetohydrazide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.35 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-2-((4-oxo-3-(p-tolyl)-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N'-(thiophen-2-ylmethylene)acetohydrazide. Following Lipinski's Rule of Five, (E)-2-((4-oxo-3-(p-tolyl)-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N'-(thiophen-2-ylmethylene)acetohydrazide has 1 hydrogen bond donor(s) and 7 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 (E)-2-((4-oxo-3-(p-tolyl)-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N'-(thiophen-2-ylmethylene)acetohydrazide?
The CAS number of (E)-2-((4-oxo-3-(p-tolyl)-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N'-(thiophen-2-ylmethylene)acetohydrazide is 497166-95-7.
What is the molecular formula of (E)-2-((4-oxo-3-(p-tolyl)-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N'-(thiophen-2-ylmethylene)acetohydrazide?
The molecular formula of (E)-2-((4-oxo-3-(p-tolyl)-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N'-(thiophen-2-ylmethylene)acetohydrazide is C24H22N4O2S3.
What is the molecular weight of (E)-2-((4-oxo-3-(p-tolyl)-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N'-(thiophen-2-ylmethylene)acetohydrazide?
The molecular weight of (E)-2-((4-oxo-3-(p-tolyl)-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N'-(thiophen-2-ylmethylene)acetohydrazide is 494.09 g/mol.
Where can I buy (E)-2-((4-oxo-3-(p-tolyl)-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N'-(thiophen-2-ylmethylene)acetohydrazide?
You can request a quote for (E)-2-((4-oxo-3-(p-tolyl)-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N'-(thiophen-2-ylmethylene)acetohydrazide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-2-((4-oxo-3-(p-tolyl)-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N'-(thiophen-2-ylmethylene)acetohydrazide?
Yes, KEHONG BIO provides custom synthesis services for (E)-2-((4-oxo-3-(p-tolyl)-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)-N'-(thiophen-2-ylmethylene)acetohydrazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.