![7-(2H-benzo[3,4-d]1,3-dioxolen-5-yl)-9-(trifluoromethyl)-1,3-dihydropyrimidino [4',5'-5,4]thiopheno[2,3-b]pyridine-2,4-dione structure](/static/products/6748/674805-02-8.webp)
7-(2H-benzo[3,4-d]1,3-dioxolen-5-yl)-9-(trifluoromethyl)-1,3-dihydropyrimidino [4',5'-5,4]thiopheno[2,3-b]pyridine-2,4-dione
TL;DR: 7-(2H-benzo[3,4-d]1,3-dioxolen-5-yl)-9-(trifluoromethyl)-1,3-dihydropyrimidino [4',5'-5,4]thiopheno[2,3-b]pyridine-2,4-dione (CAS 674805-02-8) is a chemical compound with molecular formula C17H8F3N3O4S and molecular weight 407.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
11-(1,3-benzodioxol-5-yl)-13-(trifluoromethyl)-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene-4,6-dione
Also Known As: 7-(2H-benzo[3,4-d]1,3-dioxolen-5-yl)-9-(trifluoromethyl)-1,3-dihydropyrimidino [4',5'-5,4]thiopheno[2,3-b]pyridine-2,4-dione, 7-(Benzo[d][1,3]dioxol-5-yl)-9-(trifluoromethyl)pyrido[3',2':4,5]thieno[3,2-d]pyrimidine-2,4(1H,3H)-dione
| Molecular Formula | C17H8F3N3O4S |
|---|---|
| Molecular Weight | 407.02 g/mol |
| LogP | 3.2406 |
| Topological Polar Surface Area | 97.07 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 407.01877 |
| Heavy Atoms | 28 |
| Complexity | 1386.9137 |
Chemical Identifiers
| CAS Number | 674805-02-8 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)C3=NC4=C(C(=C3)C(F)(F)F)C5=C(S4)C(=O)NC(=O)N5 |
Product Overview
7-(2H-benzo[3,4-d]1,3-dioxolen-5-yl)-9-(trifluoromethyl)-1,3-dihydropyrimidino [4',5'-5,4]thiopheno[2,3-b]pyridine-2,4-dione (CAS 674805-02-8), with molecular formula C17H8F3N3O4S and molecular weight 407.02 g/mol. IUPAC: 11-(1,3-benzodioxol-5-yl)-13-(trifluoromethyl)-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene-4,6-dione.
Chemical Property Profile of 7-(2H-benzo[3,4-d]1,3-dioxolen-5-yl)-9-(trifluoromethyl)-1,3-dihydropyrimidino [4',5'-5,4]thiopheno[2,3-b]pyridine-2,4-dione
Property Insights of 7-(2H-benzo[3,4-d]1,3-dioxolen-5-yl)-9-(trifluoromethyl)-1,3-dihydropyrimidino [4',5'-5,4]thiopheno[2,3-b]pyridine-2,4-dione
The XLogP value of 3.2406 indicates that 7-(2H-benzo[3,4-d]1,3-dioxolen-5-yl)-9-(trifluoromethyl)-1,3-dihydropyrimidino [4',5'-5,4]thiopheno[2,3-b]pyridine-2,4-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.07 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-(2H-benzo[3,4-d]1,3-dioxolen-5-yl)-9-(trifluoromethyl)-1,3-dihydropyrimidino [4',5'-5,4]thiopheno[2,3-b]pyridine-2,4-dione. Following Lipinski's Rule of Five, 7-(2H-benzo[3,4-d]1,3-dioxolen-5-yl)-9-(trifluoromethyl)-1,3-dihydropyrimidino [4',5'-5,4]thiopheno[2,3-b]pyridine-2,4-dione has 2 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 7-(2H-benzo[3,4-d]1,3-dioxolen-5-yl)-9-(trifluoromethyl)-1,3-dihydropyrimidino [4',5'-5,4]thiopheno[2,3-b]pyridine-2,4-dione?
The CAS number of 7-(2H-benzo[3,4-d]1,3-dioxolen-5-yl)-9-(trifluoromethyl)-1,3-dihydropyrimidino [4',5'-5,4]thiopheno[2,3-b]pyridine-2,4-dione is 674805-02-8.
What is the molecular formula of 7-(2H-benzo[3,4-d]1,3-dioxolen-5-yl)-9-(trifluoromethyl)-1,3-dihydropyrimidino [4',5'-5,4]thiopheno[2,3-b]pyridine-2,4-dione?
The molecular formula of 7-(2H-benzo[3,4-d]1,3-dioxolen-5-yl)-9-(trifluoromethyl)-1,3-dihydropyrimidino [4',5'-5,4]thiopheno[2,3-b]pyridine-2,4-dione is C17H8F3N3O4S.
What is the molecular weight of 7-(2H-benzo[3,4-d]1,3-dioxolen-5-yl)-9-(trifluoromethyl)-1,3-dihydropyrimidino [4',5'-5,4]thiopheno[2,3-b]pyridine-2,4-dione?
The molecular weight of 7-(2H-benzo[3,4-d]1,3-dioxolen-5-yl)-9-(trifluoromethyl)-1,3-dihydropyrimidino [4',5'-5,4]thiopheno[2,3-b]pyridine-2,4-dione is 407.02 g/mol.
Where can I buy 7-(2H-benzo[3,4-d]1,3-dioxolen-5-yl)-9-(trifluoromethyl)-1,3-dihydropyrimidino [4',5'-5,4]thiopheno[2,3-b]pyridine-2,4-dione?
You can request a quote for 7-(2H-benzo[3,4-d]1,3-dioxolen-5-yl)-9-(trifluoromethyl)-1,3-dihydropyrimidino [4',5'-5,4]thiopheno[2,3-b]pyridine-2,4-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-(2H-benzo[3,4-d]1,3-dioxolen-5-yl)-9-(trifluoromethyl)-1,3-dihydropyrimidino [4',5'-5,4]thiopheno[2,3-b]pyridine-2,4-dione?
Yes, KEHONG BIO provides custom synthesis services for 7-(2H-benzo[3,4-d]1,3-dioxolen-5-yl)-9-(trifluoromethyl)-1,3-dihydropyrimidino [4',5'-5,4]thiopheno[2,3-b]pyridine-2,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.