![(E)-3-((4-((2-chloro-5-fluoropyrimidin-4-yl)oxy)-3-ethoxybenzylidene)amino)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one structure](/static/products/383/383892-29-3.png)
(E)-3-((4-((2-chloro-5-fluoropyrimidin-4-yl)oxy)-3-ethoxybenzylidene)amino)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one
TL;DR: (E)-3-((4-((2-chloro-5-fluoropyrimidin-4-yl)oxy)-3-ethoxybenzylidene)amino)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one (CAS 383892-29-3) is a chemical compound with molecular formula C23H19ClFN5O3S and molecular weight 499.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(E)-[4-(2-chloro-5-fluoropyrimidin-4-yl)oxy-3-ethoxyphenyl]methylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
Also Known As: (E)-3-((4-((2-chloro-5-fluoropyrimidin-4-yl)oxy)-3-ethoxybenzylidene)amino)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one, 3-[((E)-1-{4-[(2-CHLORO-5-FLUORO-4-PYRIMIDINYL)OXY]-3-ETHOXYPHENYL}METHYLIDENE)AMINO]-5,6,7,8-TETRAHYDRO[1]BENZOTHIENO[2,3-D]PYRIMIDIN-4(3H)-ONE, 3-[(E)-[4-(2-chloro-5-fluoropyrimidin-4-yl)oxy-3-ethoxyphenyl]methylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one, 3-{(1E)-2-[4-(2-chloro-5-fluoropyrimidin-4-yloxy)-3-ethoxyphenyl]-1-azavinyl}- 3,5,6,7,8-pentahydrobenzo[b]thiopheno[2,3-d]pyrimidin-4-one, 3-{[(E)-{4-[(2-chloro-5-fluoropyrimidin-4-yl)oxy]-3-ethoxyphenyl}methylidene]amino}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
| Molecular Formula | C23H19ClFN5O3S |
|---|---|
| Molecular Weight | 499.09 g/mol |
| LogP | 4.9925 |
| Topological Polar Surface Area | 91.49 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 499.0881 |
| Heavy Atoms | 34 |
| Complexity | 1469.2557 |
Chemical Identifiers
| CAS Number | 383892-29-3 |
|---|---|
| SMILES | CCOC1=C(C=CC(=C1)/C=N/N2C=NC3=C(C2=O)C4=C(S3)CCCC4)OC5=NC(=NC=C5F)Cl |
Product Overview
(E)-3-((4-((2-chloro-5-fluoropyrimidin-4-yl)oxy)-3-ethoxybenzylidene)amino)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one (CAS 383892-29-3), with molecular formula C23H19ClFN5O3S and molecular weight 499.09 g/mol. IUPAC: 3-[(E)-[4-(2-chloro-5-fluoropyrimidin-4-yl)oxy-3-ethoxyphenyl]methylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one.
Chemical Property Profile of (E)-3-((4-((2-chloro-5-fluoropyrimidin-4-yl)oxy)-3-ethoxybenzylidene)amino)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one
Property Insights of (E)-3-((4-((2-chloro-5-fluoropyrimidin-4-yl)oxy)-3-ethoxybenzylidene)amino)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one
The XLogP value of 4.9925 indicates that (E)-3-((4-((2-chloro-5-fluoropyrimidin-4-yl)oxy)-3-ethoxybenzylidene)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 91.49 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-3-((4-((2-chloro-5-fluoropyrimidin-4-yl)oxy)-3-ethoxybenzylidene)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-((2-chloro-5-fluoropyrimidin-4-yl)oxy)-3-ethoxybenzylidene)amino)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one has 0 hydrogen bond donor(s) and 8 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-((2-chloro-5-fluoropyrimidin-4-yl)oxy)-3-ethoxybenzylidene)amino)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one?
The CAS number of (E)-3-((4-((2-chloro-5-fluoropyrimidin-4-yl)oxy)-3-ethoxybenzylidene)amino)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one is 383892-29-3.
What is the molecular formula of (E)-3-((4-((2-chloro-5-fluoropyrimidin-4-yl)oxy)-3-ethoxybenzylidene)amino)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one?
The molecular formula of (E)-3-((4-((2-chloro-5-fluoropyrimidin-4-yl)oxy)-3-ethoxybenzylidene)amino)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one is C23H19ClFN5O3S.
What is the molecular weight of (E)-3-((4-((2-chloro-5-fluoropyrimidin-4-yl)oxy)-3-ethoxybenzylidene)amino)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one?
The molecular weight of (E)-3-((4-((2-chloro-5-fluoropyrimidin-4-yl)oxy)-3-ethoxybenzylidene)amino)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one is 499.09 g/mol.
Where can I buy (E)-3-((4-((2-chloro-5-fluoropyrimidin-4-yl)oxy)-3-ethoxybenzylidene)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-((2-chloro-5-fluoropyrimidin-4-yl)oxy)-3-ethoxybenzylidene)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-((2-chloro-5-fluoropyrimidin-4-yl)oxy)-3-ethoxybenzylidene)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-((2-chloro-5-fluoropyrimidin-4-yl)oxy)-3-ethoxybenzylidene)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.