![2-(4,5-DIBROMO-2-THIENYL)-9-METHYL-7-(TRIFLUOROMETHYL)-2,3-DIHYDROPYRIDO[3',2':4,5]THIENO[3,2-D]PYRIMIDIN-4(1H)-ONE structure](/static/products/6762/676237-48-2.webp)
2-(4,5-DIBROMO-2-THIENYL)-9-METHYL-7-(TRIFLUOROMETHYL)-2,3-DIHYDROPYRIDO[3',2':4,5]THIENO[3,2-D]PYRIMIDIN-4(1H)-ONE
TL;DR: 2-(4,5-DIBROMO-2-THIENYL)-9-METHYL-7-(TRIFLUOROMETHYL)-2,3-DIHYDROPYRIDO[3',2':4,5]THIENO[3,2-D]PYRIMIDIN-4(1H)-ONE (CAS 676237-48-2) is a chemical compound with molecular formula C15H8Br2F3N3OS2 and molecular weight 524.84 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4,5-dibromothiophen-2-yl)-13-methyl-11-(trifluoromethyl)-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-6-one
Also Known As: 2-(4,5-DIBROMO-2-THIENYL)-9-METHYL-7-(TRIFLUOROMETHYL)-2,3-DIHYDROPYRIDO[3',2':4,5]THIENO[3,2-D]PYRIMIDIN-4(1H)-ONE, 2-(4,5-dibromothiophen-2-yl)-9-methyl-7-(trifluoromethyl)-2,3-dihydro-1H-pyrido[2,3]thieno[2,4-d]pyrimidin-4-one, 2-(4,5-dibromothiophen-2-yl)-9-methyl-7-(trifluoromethyl)-2,3-dihydropyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(1H)-one
| Molecular Formula | C15H8Br2F3N3OS2 |
|---|---|
| Molecular Weight | 524.84 g/mol |
| LogP | 6.06412 |
| Topological Polar Surface Area | 54.02 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 524.8428 |
| Heavy Atoms | 26 |
| Complexity | 1041.2502 |
Chemical Identifiers
| CAS Number | 676237-48-2 |
|---|---|
| SMILES | CC1=CC(=NC2=C1C3=C(S2)C(=O)NC(N3)C4=CC(=C(S4)Br)Br)C(F)(F)F |
Product Overview
2-(4,5-DIBROMO-2-THIENYL)-9-METHYL-7-(TRIFLUOROMETHYL)-2,3-DIHYDROPYRIDO[3',2':4,5]THIENO[3,2-D]PYRIMIDIN-4(1H)-ONE (CAS 676237-48-2), with molecular formula C15H8Br2F3N3OS2 and molecular weight 524.84 g/mol. IUPAC: 4-(4,5-dibromothiophen-2-yl)-13-methyl-11-(trifluoromethyl)-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 2-(4,5-DIBROMO-2-THIENYL)-9-METHYL-7-(TRIFLUOROMETHYL)-2,3-DIHYDROPYRIDO[3',2':4,5]THIENO[3,2-D]PYRIMIDIN-4(1H)-ONE
Property Insights of 2-(4,5-DIBROMO-2-THIENYL)-9-METHYL-7-(TRIFLUOROMETHYL)-2,3-DIHYDROPYRIDO[3',2':4,5]THIENO[3,2-D]PYRIMIDIN-4(1H)-ONE
The XLogP value of 6.06412 indicates that 2-(4,5-DIBROMO-2-THIENYL)-9-METHYL-7-(TRIFLUOROMETHYL)-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. With a topological polar surface area (TPSA) of 54.02 Ų, 2-(4,5-DIBROMO-2-THIENYL)-9-METHYL-7-(TRIFLUOROMETHYL)-2,3-DIHYDROPYRIDO[3',2':4,5]THIENO[3,2-D]PYRIMIDIN-4(1H)-ONE exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4,5-DIBROMO-2-THIENYL)-9-METHYL-7-(TRIFLUOROMETHYL)-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 2-(4,5-DIBROMO-2-THIENYL)-9-METHYL-7-(TRIFLUOROMETHYL)-2,3-DIHYDROPYRIDO[3',2':4,5]THIENO[3,2-D]PYRIMIDIN-4(1H)-ONE?
The CAS number of 2-(4,5-DIBROMO-2-THIENYL)-9-METHYL-7-(TRIFLUOROMETHYL)-2,3-DIHYDROPYRIDO[3',2':4,5]THIENO[3,2-D]PYRIMIDIN-4(1H)-ONE is 676237-48-2.
What is the molecular formula of 2-(4,5-DIBROMO-2-THIENYL)-9-METHYL-7-(TRIFLUOROMETHYL)-2,3-DIHYDROPYRIDO[3',2':4,5]THIENO[3,2-D]PYRIMIDIN-4(1H)-ONE?
The molecular formula of 2-(4,5-DIBROMO-2-THIENYL)-9-METHYL-7-(TRIFLUOROMETHYL)-2,3-DIHYDROPYRIDO[3',2':4,5]THIENO[3,2-D]PYRIMIDIN-4(1H)-ONE is C15H8Br2F3N3OS2.
What is the molecular weight of 2-(4,5-DIBROMO-2-THIENYL)-9-METHYL-7-(TRIFLUOROMETHYL)-2,3-DIHYDROPYRIDO[3',2':4,5]THIENO[3,2-D]PYRIMIDIN-4(1H)-ONE?
The molecular weight of 2-(4,5-DIBROMO-2-THIENYL)-9-METHYL-7-(TRIFLUOROMETHYL)-2,3-DIHYDROPYRIDO[3',2':4,5]THIENO[3,2-D]PYRIMIDIN-4(1H)-ONE is 524.84 g/mol.
Where can I buy 2-(4,5-DIBROMO-2-THIENYL)-9-METHYL-7-(TRIFLUOROMETHYL)-2,3-DIHYDROPYRIDO[3',2':4,5]THIENO[3,2-D]PYRIMIDIN-4(1H)-ONE?
You can request a quote for 2-(4,5-DIBROMO-2-THIENYL)-9-METHYL-7-(TRIFLUOROMETHYL)-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 2-(4,5-DIBROMO-2-THIENYL)-9-METHYL-7-(TRIFLUOROMETHYL)-2,3-DIHYDROPYRIDO[3',2':4,5]THIENO[3,2-D]PYRIMIDIN-4(1H)-ONE?
Yes, KEHONG BIO provides custom synthesis services for 2-(4,5-DIBROMO-2-THIENYL)-9-METHYL-7-(TRIFLUOROMETHYL)-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.