![1-(5-((2-fluorobenzyl)thio)-1,3,4-thiadiazol-2-yl)-8-methyl-2,5-dioxo-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carbonitrile structure](/static/products/879/879925-05-0.png)
1-(5-((2-fluorobenzyl)thio)-1,3,4-thiadiazol-2-yl)-8-methyl-2,5-dioxo-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carbonitrile
TL;DR: 1-(5-((2-fluorobenzyl)thio)-1,3,4-thiadiazol-2-yl)-8-methyl-2,5-dioxo-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carbonitrile (CAS 879925-05-0) is a chemical compound with molecular formula C22H13FN6O2S2 and molecular weight 476.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[5-[(2-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-13-methyl-2,6-dioxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carbonitrile
Also Known As: 1-(5-((2-fluorobenzyl)thio)-1,3,4-thiadiazol-2-yl)-8-methyl-2,5-dioxo-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carbonitrile, 1-{5-[(2-fluorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-8-methyl-2,5-dioxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carbonitrile, 1-{5-[(2-FLUOROBENZYL)SULFANYL]-1,3,4-THIADIAZOL-2-YL}-8-METHYL-2,5-DIOXO-1,5-DIHYDRO-2H-DIPYRIDO[1,2-A:2,3-D]PYRIMIDIN-3-YL CYANIDE
| Molecular Formula | C22H13FN6O2S2 |
|---|---|
| Molecular Weight | 476.05 g/mol |
| LogP | 3.4616 |
| Topological Polar Surface Area | 105.94 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 476.05255 |
| Heavy Atoms | 33 |
| Complexity | 1716.9456 |
Chemical Identifiers
| CAS Number | 879925-05-0 |
|---|---|
| SMILES | CC1=CN2C(=NC3=C(C2=O)C=C(C(=O)N3C4=NN=C(S4)SCC5=CC=CC=C5F)C#N)C=C1 |
Product Overview
1-(5-((2-fluorobenzyl)thio)-1,3,4-thiadiazol-2-yl)-8-methyl-2,5-dioxo-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carbonitrile (CAS 879925-05-0), with molecular formula C22H13FN6O2S2 and molecular weight 476.05 g/mol. IUPAC: 7-[5-[(2-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-13-methyl-2,6-dioxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carbonitrile.
Chemical Property Profile of 1-(5-((2-fluorobenzyl)thio)-1,3,4-thiadiazol-2-yl)-8-methyl-2,5-dioxo-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carbonitrile
Property Insights of 1-(5-((2-fluorobenzyl)thio)-1,3,4-thiadiazol-2-yl)-8-methyl-2,5-dioxo-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carbonitrile
The XLogP value of 3.4616 indicates that 1-(5-((2-fluorobenzyl)thio)-1,3,4-thiadiazol-2-yl)-8-methyl-2,5-dioxo-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.94 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(5-((2-fluorobenzyl)thio)-1,3,4-thiadiazol-2-yl)-8-methyl-2,5-dioxo-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carbonitrile. Following Lipinski's Rule of Five, 1-(5-((2-fluorobenzyl)thio)-1,3,4-thiadiazol-2-yl)-8-methyl-2,5-dioxo-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carbonitrile 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 1-(5-((2-fluorobenzyl)thio)-1,3,4-thiadiazol-2-yl)-8-methyl-2,5-dioxo-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carbonitrile?
The CAS number of 1-(5-((2-fluorobenzyl)thio)-1,3,4-thiadiazol-2-yl)-8-methyl-2,5-dioxo-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carbonitrile is 879925-05-0.
What is the molecular formula of 1-(5-((2-fluorobenzyl)thio)-1,3,4-thiadiazol-2-yl)-8-methyl-2,5-dioxo-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carbonitrile?
The molecular formula of 1-(5-((2-fluorobenzyl)thio)-1,3,4-thiadiazol-2-yl)-8-methyl-2,5-dioxo-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carbonitrile is C22H13FN6O2S2.
What is the molecular weight of 1-(5-((2-fluorobenzyl)thio)-1,3,4-thiadiazol-2-yl)-8-methyl-2,5-dioxo-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carbonitrile?
The molecular weight of 1-(5-((2-fluorobenzyl)thio)-1,3,4-thiadiazol-2-yl)-8-methyl-2,5-dioxo-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carbonitrile is 476.05 g/mol.
Where can I buy 1-(5-((2-fluorobenzyl)thio)-1,3,4-thiadiazol-2-yl)-8-methyl-2,5-dioxo-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carbonitrile?
You can request a quote for 1-(5-((2-fluorobenzyl)thio)-1,3,4-thiadiazol-2-yl)-8-methyl-2,5-dioxo-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(5-((2-fluorobenzyl)thio)-1,3,4-thiadiazol-2-yl)-8-methyl-2,5-dioxo-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 1-(5-((2-fluorobenzyl)thio)-1,3,4-thiadiazol-2-yl)-8-methyl-2,5-dioxo-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.