![(E)-methyl 4-((2-(2-((4-oxo-3-(p-tolyl)-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetyl)hydrazono)methyl)benzoate structure](/static/products/4971/497166-68-4.webp)
(E)-methyl 4-((2-(2-((4-oxo-3-(p-tolyl)-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetyl)hydrazono)methyl)benzoate
TL;DR: (E)-methyl 4-((2-(2-((4-oxo-3-(p-tolyl)-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetyl)hydrazono)methyl)benzoate (CAS 497166-68-4) is a chemical compound with molecular formula C28H26N4O4S2 and molecular weight 546.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[(Z)-[[2-[[3-(4-methylphenyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]acetyl]hydrazinylidene]methyl]benzoate
Also Known As: (E)-methyl 4-((2-(2-((4-oxo-3-(p-tolyl)-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetyl)hydrazono)methyl)benzoate, methyl 4-((1Z)-2-{2-[3-(4-methylphenyl)-4-oxo(3,5,6,7,8-pentahydrobenzo[b]thio pheno[2,3-d]pyrimidin-2-ylthio)]acetylamino}-2-azavinyl)benzoate, methyl 4-[(Z)-[[2-[[3-(4-methylphenyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]acetyl]hydrazinylidene]methyl]benzoate, methyl 4-{(Z)-[2-({[3-(4-methylphenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetyl)hydrazinylidene]methyl}benzoate
| Molecular Formula | C28H26N4O4S2 |
|---|---|
| Molecular Weight | 546.14 g/mol |
| LogP | 4.66342 |
| Topological Polar Surface Area | 102.65 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 546.1395 |
| Heavy Atoms | 38 |
| Complexity | 1588.6385 |
Chemical Identifiers
| CAS Number | 497166-68-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=O)C3=C(N=C2SCC(=O)N/N=C\C4=CC=C(C=C4)C(=O)OC)SC5=C3CCCC5 |
Product Overview
(E)-methyl 4-((2-(2-((4-oxo-3-(p-tolyl)-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetyl)hydrazono)methyl)benzoate (CAS 497166-68-4), with molecular formula C28H26N4O4S2 and molecular weight 546.14 g/mol. IUPAC: methyl 4-[(Z)-[[2-[[3-(4-methylphenyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]acetyl]hydrazinylidene]methyl]benzoate.
Chemical Property Profile of (E)-methyl 4-((2-(2-((4-oxo-3-(p-tolyl)-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetyl)hydrazono)methyl)benzoate
Property Insights of (E)-methyl 4-((2-(2-((4-oxo-3-(p-tolyl)-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetyl)hydrazono)methyl)benzoate
The XLogP value of 4.66342 indicates that (E)-methyl 4-((2-(2-((4-oxo-3-(p-tolyl)-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetyl)hydrazono)methyl)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.65 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-methyl 4-((2-(2-((4-oxo-3-(p-tolyl)-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetyl)hydrazono)methyl)benzoate. Following Lipinski's Rule of Five, (E)-methyl 4-((2-(2-((4-oxo-3-(p-tolyl)-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetyl)hydrazono)methyl)benzoate has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (E)-methyl 4-((2-(2-((4-oxo-3-(p-tolyl)-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetyl)hydrazono)methyl)benzoate?
The CAS number of (E)-methyl 4-((2-(2-((4-oxo-3-(p-tolyl)-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetyl)hydrazono)methyl)benzoate is 497166-68-4.
What is the molecular formula of (E)-methyl 4-((2-(2-((4-oxo-3-(p-tolyl)-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetyl)hydrazono)methyl)benzoate?
The molecular formula of (E)-methyl 4-((2-(2-((4-oxo-3-(p-tolyl)-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetyl)hydrazono)methyl)benzoate is C28H26N4O4S2.
What is the molecular weight of (E)-methyl 4-((2-(2-((4-oxo-3-(p-tolyl)-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetyl)hydrazono)methyl)benzoate?
The molecular weight of (E)-methyl 4-((2-(2-((4-oxo-3-(p-tolyl)-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetyl)hydrazono)methyl)benzoate is 546.14 g/mol.
Where can I buy (E)-methyl 4-((2-(2-((4-oxo-3-(p-tolyl)-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetyl)hydrazono)methyl)benzoate?
You can request a quote for (E)-methyl 4-((2-(2-((4-oxo-3-(p-tolyl)-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetyl)hydrazono)methyl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-methyl 4-((2-(2-((4-oxo-3-(p-tolyl)-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetyl)hydrazono)methyl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for (E)-methyl 4-((2-(2-((4-oxo-3-(p-tolyl)-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetyl)hydrazono)methyl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.