![(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'-(2-oxoindolin-3-ylidene)acetohydrazide structure](/static/products/613/613231-81-5.png)
(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'-(2-oxoindolin-3-ylidene)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'-(2-oxoindolin-3-ylidene)acetohydrazide (CAS 613231-81-5) is a chemical compound with molecular formula C27H23N5O3S2 and molecular weight 529.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(2-hydroxy-1H-indol-3-yl)imino]-2-[[3-(4-methylphenyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]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'-(2-oxoindolin-3-ylidene)acetohydrazide, 2-[[3-(4-methylphenyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]-N'-(2-oxoindol-3-yl)acetohydrazide, 2-[3-(4-methylphenyl)-4-oxo(3,5,6,7,8-pentahydrobenzo[b]thiopheno[2,3-d]pyrimi din-2-ylthio)]-N-[(2-oxo(1H-benzo[d]azolin-3-ylidene))azamethyl]acetamide, 2-{[3-(4-methylphenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N'-[(3E)-2-oxo-1,2-dihydro-3H-indol-3-ylidene]acetohydrazide
| Molecular Formula | C27H23N5O3S2 |
|---|---|
| Molecular Weight | 529.12 g/mol |
| LogP | 6.22392 |
| Topological Polar Surface Area | 112.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 529.1242 |
| Heavy Atoms | 37 |
| Complexity | 1748.3502 |
Chemical Identifiers
| CAS Number | 613231-81-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=O)C3=C(N=C2SCC(=O)N=NC4=C(NC5=CC=CC=C54)O)SC6=C3CCCC6 |
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'-(2-oxoindolin-3-ylidene)acetohydrazide (CAS 613231-81-5), with molecular formula C27H23N5O3S2 and molecular weight 529.12 g/mol. IUPAC: N-[(2-hydroxy-1H-indol-3-yl)imino]-2-[[3-(4-methylphenyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]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'-(2-oxoindolin-3-ylidene)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'-(2-oxoindolin-3-ylidene)acetohydrazide
The XLogP value of 6.22392 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'-(2-oxoindolin-3-ylidene)acetohydrazide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 112.7 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'-(2-oxoindolin-3-ylidene)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'-(2-oxoindolin-3-ylidene)acetohydrazide has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
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'-(2-oxoindolin-3-ylidene)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'-(2-oxoindolin-3-ylidene)acetohydrazide is 613231-81-5.
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'-(2-oxoindolin-3-ylidene)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'-(2-oxoindolin-3-ylidene)acetohydrazide is C27H23N5O3S2.
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'-(2-oxoindolin-3-ylidene)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'-(2-oxoindolin-3-ylidene)acetohydrazide is 529.12 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'-(2-oxoindolin-3-ylidene)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'-(2-oxoindolin-3-ylidene)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'-(2-oxoindolin-3-ylidene)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'-(2-oxoindolin-3-ylidene)acetohydrazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.