F0579-0400
TL;DR: F0579-0400 (CAS 862806-55-1) 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.
2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-3-(4-methoxyphenyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-one
Also Known As: F0579-0400, 2-((2-(4-chlorophenyl)-2-oxoethyl)thio)-3-(4-methoxyphenyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4(3H)-one, 2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-3-(4-methoxyphenyl)-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-4-one, 2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-3-(4-methoxyphenyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-one
| Molecular Formula | C21H17ClN2O3S2 |
|---|---|
| Molecular Weight | 444.04 g/mol |
| LogP | 4.5177 |
| 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 | 1112.5104 |
Chemical Identifiers
| CAS Number | 862806-55-1 |
|---|---|
| SMILES | COC1=CC=C(C=C1)N2C(=O)C3=C(CCS3)N=C2SCC(=O)C4=CC=C(C=C4)Cl |
Product Overview
F0579-0400 (CAS 862806-55-1), with molecular formula C21H17ClN2O3S2 and molecular weight 444.04 g/mol. IUPAC: 2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-3-(4-methoxyphenyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-one.
Chemical Property Profile of F0579-0400
Property Insights of F0579-0400
The XLogP value of 4.5177 indicates that F0579-0400 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 F0579-0400. Following Lipinski's Rule of Five, F0579-0400 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 F0579-0400?
The CAS number of F0579-0400 is 862806-55-1.
What is the molecular formula of F0579-0400?
The molecular formula of F0579-0400 is C21H17ClN2O3S2.
What is the molecular weight of F0579-0400?
The molecular weight of F0579-0400 is 444.04 g/mol.
Where can I buy F0579-0400?
You can request a quote for F0579-0400 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0579-0400?
Yes, KEHONG BIO provides custom synthesis services for F0579-0400 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.