![(E)-3-((4-fluorobenzylidene)amino)-2-isobutyl-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one structure](/static/products/372/372970-72-4.png)
(E)-3-((4-fluorobenzylidene)amino)-2-isobutyl-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one
TL;DR: (E)-3-((4-fluorobenzylidene)amino)-2-isobutyl-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one (CAS 372970-72-4) is a chemical compound with molecular formula C21H22FN3OS and molecular weight 383.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(E)-(4-fluorophenyl)methylideneamino]-2-(2-methylpropyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
Also Known As: (E)-3-((4-fluorobenzylidene)amino)-2-isobutyl-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one, 3-[(E)-(4-fluorophenyl)methylideneamino]-2-(2-methylpropyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one, 3-{[(E)-(4-fluorophenyl)methylidene]amino}-2-(2-methylpropyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
| Molecular Formula | C21H22FN3OS |
|---|---|
| Molecular Weight | 383.15 g/mol |
| LogP | 4.5566 |
| Topological Polar Surface Area | 47.25 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 383.14676 |
| Heavy Atoms | 27 |
| Complexity | 1063.7056 |
Chemical Identifiers
| CAS Number | 372970-72-4 |
|---|---|
| SMILES | CC(C)CC1=NC2=C(C3=C(S2)CCCC3)C(=O)N1/N=C/C4=CC=C(C=C4)F |
Product Overview
(E)-3-((4-fluorobenzylidene)amino)-2-isobutyl-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one (CAS 372970-72-4), with molecular formula C21H22FN3OS and molecular weight 383.15 g/mol. IUPAC: 3-[(E)-(4-fluorophenyl)methylideneamino]-2-(2-methylpropyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one.
Chemical Property Profile of (E)-3-((4-fluorobenzylidene)amino)-2-isobutyl-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one
Property Insights of (E)-3-((4-fluorobenzylidene)amino)-2-isobutyl-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one
The XLogP value of 4.5566 indicates that (E)-3-((4-fluorobenzylidene)amino)-2-isobutyl-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.25 Ų, (E)-3-((4-fluorobenzylidene)amino)-2-isobutyl-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-3-((4-fluorobenzylidene)amino)-2-isobutyl-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one has 0 hydrogen bond donor(s) and 4 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)-3-((4-fluorobenzylidene)amino)-2-isobutyl-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one?
The CAS number of (E)-3-((4-fluorobenzylidene)amino)-2-isobutyl-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one is 372970-72-4.
What is the molecular formula of (E)-3-((4-fluorobenzylidene)amino)-2-isobutyl-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one?
The molecular formula of (E)-3-((4-fluorobenzylidene)amino)-2-isobutyl-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one is C21H22FN3OS.
What is the molecular weight of (E)-3-((4-fluorobenzylidene)amino)-2-isobutyl-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one?
The molecular weight of (E)-3-((4-fluorobenzylidene)amino)-2-isobutyl-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one is 383.15 g/mol.
Where can I buy (E)-3-((4-fluorobenzylidene)amino)-2-isobutyl-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one?
You can request a quote for (E)-3-((4-fluorobenzylidene)amino)-2-isobutyl-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-3-((4-fluorobenzylidene)amino)-2-isobutyl-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for (E)-3-((4-fluorobenzylidene)amino)-2-isobutyl-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.