F0579-0684
TL;DR: F0579-0684 (CAS 687565-39-5) is a chemical compound with molecular formula C21H17ClN2O3S2 and molecular weight 444.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 2-[[3-(4-chlorophenyl)-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl]acetate
Also Known As: F0579-0684, benzyl 2-{[3-(4-chlorophenyl)-4-oxo-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-2-yl]sulfanyl}acetate, benzyl 2-((3-(4-chlorophenyl)-4-oxo-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl)thio)acetate, benzyl 2-[[3-(4-chlorophenyl)-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl]acetate, benzyl [6-(p-chlorophenyl)-7-oxo-1-thia-4,6-diaza-5-indanylthio]acetate
| Molecular Formula | C21H17ClN2O3S2 |
|---|---|
| Molecular Weight | 444.04 g/mol |
| LogP | 4.3696 |
| Topological Polar Surface Area | 61.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 444.03693 |
| Heavy Atoms | 29 |
| Complexity | 1085.5754 |
Chemical Identifiers
| CAS Number | 687565-39-5 |
|---|---|
| SMILES | C1CSC2=C1N=C(N(C2=O)C3=CC=C(C=C3)Cl)SCC(=O)OCC4=CC=CC=C4 |
Product Overview
F0579-0684 (CAS 687565-39-5), with molecular formula C21H17ClN2O3S2 and molecular weight 444.04 g/mol. IUPAC: benzyl 2-[[3-(4-chlorophenyl)-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl]acetate.
Chemical Property Profile of F0579-0684
Property Insights of F0579-0684
The XLogP value of 4.3696 indicates that F0579-0684 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.19 Ų falls within the moderate polarity range, balancing permeability and solubility for F0579-0684. Following Lipinski's Rule of Five, F0579-0684 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 F0579-0684?
The CAS number of F0579-0684 is 687565-39-5.
What is the molecular formula of F0579-0684?
The molecular formula of F0579-0684 is C21H17ClN2O3S2.
What is the molecular weight of F0579-0684?
The molecular weight of F0579-0684 is 444.04 g/mol.
Where can I buy F0579-0684?
You can request a quote for F0579-0684 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0579-0684?
Yes, KEHONG BIO provides custom synthesis services for F0579-0684 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.