![7-(difluoromethyl)-2-(1-ethyl-3-methyl-1H-pyrazol-4-yl)-9-phenyl-2,3-dihydropyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(1H)-one structure](/static/products/1005/1005616-33-0.webp)
7-(difluoromethyl)-2-(1-ethyl-3-methyl-1H-pyrazol-4-yl)-9-phenyl-2,3-dihydropyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(1H)-one
TL;DR: 7-(difluoromethyl)-2-(1-ethyl-3-methyl-1H-pyrazol-4-yl)-9-phenyl-2,3-dihydropyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(1H)-one (CAS 1005616-33-0) is a chemical compound with molecular formula C22H19F2N5OS and molecular weight 439.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
11-(difluoromethyl)-4-(1-ethyl-3-methylpyrazol-4-yl)-13-phenyl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-6-one
Also Known As: 7-(difluoromethyl)-2-(1-ethyl-3-methyl-1H-pyrazol-4-yl)-9-phenyl-2,3-dihydropyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(1H)-one, 7-(difluoromethyl)-2-(1-ethyl-3-methylpyrazol-4-yl)-9-phenyl-2,3-dihydro-1H-pyrido[2,3]thieno[2,4-d]pyrimidin-4-one
| Molecular Formula | C22H19F2N5OS |
|---|---|
| Molecular Weight | 439.13 g/mol |
| LogP | 5.27982 |
| Topological Polar Surface Area | 71.84 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 439.12784 |
| Heavy Atoms | 31 |
| Complexity | 1298.475 |
Chemical Identifiers
| CAS Number | 1005616-33-0 |
|---|---|
| SMILES | CCN1C=C(C(=N1)C)C2NC3=C(C(=O)N2)SC4=C3C(=CC(=N4)C(F)F)C5=CC=CC=C5 |
Product Overview
7-(difluoromethyl)-2-(1-ethyl-3-methyl-1H-pyrazol-4-yl)-9-phenyl-2,3-dihydropyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(1H)-one (CAS 1005616-33-0), with molecular formula C22H19F2N5OS and molecular weight 439.13 g/mol. IUPAC: 11-(difluoromethyl)-4-(1-ethyl-3-methylpyrazol-4-yl)-13-phenyl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-6-one.
Chemical Property Profile of 7-(difluoromethyl)-2-(1-ethyl-3-methyl-1H-pyrazol-4-yl)-9-phenyl-2,3-dihydropyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(1H)-one
Property Insights of 7-(difluoromethyl)-2-(1-ethyl-3-methyl-1H-pyrazol-4-yl)-9-phenyl-2,3-dihydropyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(1H)-one
The XLogP value of 5.27982 indicates that 7-(difluoromethyl)-2-(1-ethyl-3-methyl-1H-pyrazol-4-yl)-9-phenyl-2,3-dihydropyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(1H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.84 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-(difluoromethyl)-2-(1-ethyl-3-methyl-1H-pyrazol-4-yl)-9-phenyl-2,3-dihydropyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(1H)-one. Following Lipinski's Rule of Five, 7-(difluoromethyl)-2-(1-ethyl-3-methyl-1H-pyrazol-4-yl)-9-phenyl-2,3-dihydropyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(1H)-one has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 7-(difluoromethyl)-2-(1-ethyl-3-methyl-1H-pyrazol-4-yl)-9-phenyl-2,3-dihydropyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(1H)-one?
The CAS number of 7-(difluoromethyl)-2-(1-ethyl-3-methyl-1H-pyrazol-4-yl)-9-phenyl-2,3-dihydropyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(1H)-one is 1005616-33-0.
What is the molecular formula of 7-(difluoromethyl)-2-(1-ethyl-3-methyl-1H-pyrazol-4-yl)-9-phenyl-2,3-dihydropyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(1H)-one?
The molecular formula of 7-(difluoromethyl)-2-(1-ethyl-3-methyl-1H-pyrazol-4-yl)-9-phenyl-2,3-dihydropyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(1H)-one is C22H19F2N5OS.
What is the molecular weight of 7-(difluoromethyl)-2-(1-ethyl-3-methyl-1H-pyrazol-4-yl)-9-phenyl-2,3-dihydropyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(1H)-one?
The molecular weight of 7-(difluoromethyl)-2-(1-ethyl-3-methyl-1H-pyrazol-4-yl)-9-phenyl-2,3-dihydropyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(1H)-one is 439.13 g/mol.
Where can I buy 7-(difluoromethyl)-2-(1-ethyl-3-methyl-1H-pyrazol-4-yl)-9-phenyl-2,3-dihydropyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(1H)-one?
You can request a quote for 7-(difluoromethyl)-2-(1-ethyl-3-methyl-1H-pyrazol-4-yl)-9-phenyl-2,3-dihydropyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(1H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-(difluoromethyl)-2-(1-ethyl-3-methyl-1H-pyrazol-4-yl)-9-phenyl-2,3-dihydropyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(1H)-one?
Yes, KEHONG BIO provides custom synthesis services for 7-(difluoromethyl)-2-(1-ethyl-3-methyl-1H-pyrazol-4-yl)-9-phenyl-2,3-dihydropyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(1H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.