![(E)-3-((4-(allyloxy)-3-bromo-5-methoxybenzylidene)amino)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one structure](/static/products/357/357176-22-8.png)
(E)-3-((4-(allyloxy)-3-bromo-5-methoxybenzylidene)amino)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one
TL;DR: (E)-3-((4-(allyloxy)-3-bromo-5-methoxybenzylidene)amino)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one (CAS 357176-22-8) is a chemical compound with molecular formula C21H20BrN3O3S and molecular weight 473.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(E)-(3-bromo-5-methoxy-4-prop-2-enoxyphenyl)methylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
Also Known As: (E)-3-((4-(allyloxy)-3-bromo-5-methoxybenzylidene)amino)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one, 3-({(E)-[3-bromo-5-methoxy-4-(prop-2-en-1-yloxy)phenyl]methylidene}amino)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one, 3-[(1E)-2-(3-bromo-5-methoxy-4-prop-2-enyloxyphenyl)-1-azavinyl]-3,5,6,7,8-pen tahydrobenzo[b]thiopheno[2,3-d]pyrimidin-4-one, 3-[(E)-(3-bromo-5-methoxy-4-prop-2-enoxyphenyl)methylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
| Molecular Formula | C21H20BrN3O3S |
|---|---|
| Molecular Weight | 473.04 g/mol |
| LogP | 4.5549 |
| Topological Polar Surface Area | 65.71 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 473.0409 |
| Heavy Atoms | 29 |
| Complexity | 1166.1682 |
Chemical Identifiers
| CAS Number | 357176-22-8 |
|---|---|
| SMILES | COC1=C(C(=CC(=C1)/C=N/N2C=NC3=C(C2=O)C4=C(S3)CCCC4)Br)OCC=C |
Product Overview
(E)-3-((4-(allyloxy)-3-bromo-5-methoxybenzylidene)amino)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one (CAS 357176-22-8), with molecular formula C21H20BrN3O3S and molecular weight 473.04 g/mol. IUPAC: 3-[(E)-(3-bromo-5-methoxy-4-prop-2-enoxyphenyl)methylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one.
Chemical Property Profile of (E)-3-((4-(allyloxy)-3-bromo-5-methoxybenzylidene)amino)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one
Property Insights of (E)-3-((4-(allyloxy)-3-bromo-5-methoxybenzylidene)amino)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one
The XLogP value of 4.5549 indicates that (E)-3-((4-(allyloxy)-3-bromo-5-methoxybenzylidene)amino)-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. The TPSA of 65.71 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-3-((4-(allyloxy)-3-bromo-5-methoxybenzylidene)amino)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one. Following Lipinski's Rule of Five, (E)-3-((4-(allyloxy)-3-bromo-5-methoxybenzylidene)amino)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one has 0 hydrogen bond donor(s) and 6 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-(allyloxy)-3-bromo-5-methoxybenzylidene)amino)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one?
The CAS number of (E)-3-((4-(allyloxy)-3-bromo-5-methoxybenzylidene)amino)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one is 357176-22-8.
What is the molecular formula of (E)-3-((4-(allyloxy)-3-bromo-5-methoxybenzylidene)amino)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one?
The molecular formula of (E)-3-((4-(allyloxy)-3-bromo-5-methoxybenzylidene)amino)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one is C21H20BrN3O3S.
What is the molecular weight of (E)-3-((4-(allyloxy)-3-bromo-5-methoxybenzylidene)amino)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one?
The molecular weight of (E)-3-((4-(allyloxy)-3-bromo-5-methoxybenzylidene)amino)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one is 473.04 g/mol.
Where can I buy (E)-3-((4-(allyloxy)-3-bromo-5-methoxybenzylidene)amino)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one?
You can request a quote for (E)-3-((4-(allyloxy)-3-bromo-5-methoxybenzylidene)amino)-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-(allyloxy)-3-bromo-5-methoxybenzylidene)amino)-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-(allyloxy)-3-bromo-5-methoxybenzylidene)amino)-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.