F0579-0500
TL;DR: F0579-0500 (CAS 686772-96-3) is a chemical compound with molecular formula C22H19ClN2O3S2 and molecular weight 458.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-3-(4-ethoxyphenyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-one
Also Known As: F0579-0500, 2-((2-(4-chlorophenyl)-2-oxoethyl)thio)-3-(4-ethoxyphenyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4(3H)-one, 2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-3-(4-ethoxyphenyl)-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-4-one, 2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-3-(4-ethoxyphenyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-one
| Molecular Formula | C22H19ClN2O3S2 |
|---|---|
| Molecular Weight | 458.05 g/mol |
| LogP | 4.9078 |
| Topological Polar Surface Area | 61.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 458.05255 |
| Heavy Atoms | 30 |
| Complexity | 1128.8599 |
Chemical Identifiers
| CAS Number | 686772-96-3 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)N2C(=O)C3=C(CCS3)N=C2SCC(=O)C4=CC=C(C=C4)Cl |
Product Overview
F0579-0500 (CAS 686772-96-3), with molecular formula C22H19ClN2O3S2 and molecular weight 458.05 g/mol. IUPAC: 2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-3-(4-ethoxyphenyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-one.
Chemical Property Profile of F0579-0500
Property Insights of F0579-0500
The XLogP value of 4.9078 indicates that F0579-0500 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 F0579-0500. Following Lipinski's Rule of Five, F0579-0500 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 F0579-0500?
The CAS number of F0579-0500 is 686772-96-3.
What is the molecular formula of F0579-0500?
The molecular formula of F0579-0500 is C22H19ClN2O3S2.
What is the molecular weight of F0579-0500?
The molecular weight of F0579-0500 is 458.05 g/mol.
Where can I buy F0579-0500?
You can request a quote for F0579-0500 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0579-0500?
Yes, KEHONG BIO provides custom synthesis services for F0579-0500 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.