![2-{[3-(4-methylphenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N'-[(E)-pyridin-4-ylmethylidene]acetohydrazide structure](/static/products/6132/613231-67-7.webp)
2-{[3-(4-methylphenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N'-[(E)-pyridin-4-ylmethylidene]acetohydrazide
TL;DR: 2-{[3-(4-methylphenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N'-[(E)-pyridin-4-ylmethylidene]acetohydrazide (CAS 613231-67-7) is a chemical compound with molecular formula C25H23N5O2S2 and molecular weight 489.13 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)-pyridin-4-ylmethylideneamino]acetamide
Also Known As: 2-{[3-(4-methylphenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N'-[(E)-pyridin-4-ylmethylidene]acetohydrazide, 2-[[3-(4-methylphenyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]-N-[(Z)-pyridin-4-ylmethylideneamino]acetamide, N-((1Z)-2-(4-pyridyl)-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 | C25H23N5O2S2 |
|---|---|
| Molecular Weight | 489.13 g/mol |
| LogP | 4.27182 |
| Topological Polar Surface Area | 89.24 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 489.1293 |
| Heavy Atoms | 34 |
| Complexity | 1425.966 |
Chemical Identifiers
| CAS Number | 613231-67-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=O)C3=C(N=C2SCC(=O)N/N=C\C4=CC=NC=C4)SC5=C3CCCC5 |
Product Overview
2-{[3-(4-methylphenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N'-[(E)-pyridin-4-ylmethylidene]acetohydrazide (CAS 613231-67-7), with molecular formula C25H23N5O2S2 and molecular weight 489.13 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)-pyridin-4-ylmethylideneamino]acetamide.
Chemical Property Profile of 2-{[3-(4-methylphenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N'-[(E)-pyridin-4-ylmethylidene]acetohydrazide
Property Insights of 2-{[3-(4-methylphenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N'-[(E)-pyridin-4-ylmethylidene]acetohydrazide
The XLogP value of 4.27182 indicates that 2-{[3-(4-methylphenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N'-[(E)-pyridin-4-ylmethylidene]acetohydrazide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.24 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{[3-(4-methylphenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N'-[(E)-pyridin-4-ylmethylidene]acetohydrazide. Following Lipinski's Rule of Five, 2-{[3-(4-methylphenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N'-[(E)-pyridin-4-ylmethylidene]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 2-{[3-(4-methylphenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N'-[(E)-pyridin-4-ylmethylidene]acetohydrazide?
The CAS number of 2-{[3-(4-methylphenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N'-[(E)-pyridin-4-ylmethylidene]acetohydrazide is 613231-67-7.
What is the molecular formula of 2-{[3-(4-methylphenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N'-[(E)-pyridin-4-ylmethylidene]acetohydrazide?
The molecular formula of 2-{[3-(4-methylphenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N'-[(E)-pyridin-4-ylmethylidene]acetohydrazide is C25H23N5O2S2.
What is the molecular weight of 2-{[3-(4-methylphenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N'-[(E)-pyridin-4-ylmethylidene]acetohydrazide?
The molecular weight of 2-{[3-(4-methylphenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N'-[(E)-pyridin-4-ylmethylidene]acetohydrazide is 489.13 g/mol.
Where can I buy 2-{[3-(4-methylphenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N'-[(E)-pyridin-4-ylmethylidene]acetohydrazide?
You can request a quote for 2-{[3-(4-methylphenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N'-[(E)-pyridin-4-ylmethylidene]acetohydrazide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-{[3-(4-methylphenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N'-[(E)-pyridin-4-ylmethylidene]acetohydrazide?
Yes, KEHONG BIO provides custom synthesis services for 2-{[3-(4-methylphenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N'-[(E)-pyridin-4-ylmethylidene]acetohydrazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.