EX-A8078F
TL;DR: EX-A8078F (CAS 422298-69-9) is a chemical compound with molecular formula C24H22N4O2S3 and molecular weight 494.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-methylphenyl)-5-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-6-phenyl-2-sulfanylidene-[1,3]thiazolo[4,5-d]pyrimidin-7-one
Also Known As: EX-A8078F, 3-(2-methylphenyl)-5-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-6-phenyl-2-sulfanylidene-[1,3]thiazolo[4,5-d]pyrimidin-7-one, Thiazolo[4,5-d]pyrimidin-7(6H)-one, 2,3-dihydro-3-(2-methylphenyl)-5-[[2-oxo-2-(1-pyrrolidinyl)ethyl]thio]-6-phenyl-2-thioxo-, 3-(2-METHYLPHENYL)-5-{[2-OXO-2-(PYRROLIDIN-1-YL)ETHYL]SULFANYL}-6-PHENYL-2-SULFANYLIDENE-2H,3H,6H,7H-[1,3]THIAZOLO[4,5-D]PYRIMIDIN-7-ONE, 5-((2-Oxo-2-(pyrrolidin-1-yl)ethyl)thio)-6-phenyl-2-thioxo-3-(o-tolyl)-2,3-dihydrothiazolo[4,5-d]pyrimidin-7(6H)-one
| Molecular Formula | C24H22N4O2S3 |
|---|---|
| Molecular Weight | 494.09 g/mol |
| LogP | 4.99031 |
| Topological Polar Surface Area | 60.13 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 494.09048 |
| Heavy Atoms | 33 |
| Complexity | 1450.3386 |
Chemical Identifiers
| CAS Number | 422298-69-9 |
|---|---|
| SMILES | CC1=CC=CC=C1N2C3=C(C(=O)N(C(=N3)SCC(=O)N4CCCC4)C5=CC=CC=C5)SC2=S |
Product Overview
EX-A8078F (CAS 422298-69-9), with molecular formula C24H22N4O2S3 and molecular weight 494.09 g/mol. IUPAC: 3-(2-methylphenyl)-5-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-6-phenyl-2-sulfanylidene-[1,3]thiazolo[4,5-d]pyrimidin-7-one.
Chemical Property Profile of EX-A8078F
Property Insights of EX-A8078F
The XLogP value of 4.99031 indicates that EX-A8078F is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.13 Ų falls within the moderate polarity range, balancing permeability and solubility for EX-A8078F. Following Lipinski's Rule of Five, EX-A8078F has 0 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 EX-A8078F?
The CAS number of EX-A8078F is 422298-69-9.
What is the molecular formula of EX-A8078F?
The molecular formula of EX-A8078F is C24H22N4O2S3.
What is the molecular weight of EX-A8078F?
The molecular weight of EX-A8078F is 494.09 g/mol.
Where can I buy EX-A8078F?
You can request a quote for EX-A8078F directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EX-A8078F?
Yes, KEHONG BIO provides custom synthesis services for EX-A8078F and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.