F0579-0780
TL;DR: F0579-0780 (CAS 687567-29-9) is a chemical compound with molecular formula C18H19BrN2O3S2 and molecular weight 454.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[3-(4-bromophenyl)-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl]butanoate
Also Known As: F0579-0780, ethyl 2-{[3-(4-bromophenyl)-4-oxo-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-2-yl]sulfanyl}butanoate, ethyl 2-[[3-(4-bromophenyl)-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl]butanoate, ethyl 2-((3-(4-bromophenyl)-4-oxo-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl)thio)butanoate
| Molecular Formula | C18H19BrN2O3S2 |
|---|---|
| Molecular Weight | 454.00 g/mol |
| LogP | 4.077 |
| Topological Polar Surface Area | 61.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 454.00204 |
| Heavy Atoms | 26 |
| Complexity | 867.9753 |
Chemical Identifiers
| CAS Number | 687567-29-9 |
|---|---|
| SMILES | CCC(C(=O)OCC)SC1=NC2=C(C(=O)N1C3=CC=C(C=C3)Br)SCC2 |
Product Overview
F0579-0780 (CAS 687567-29-9), with molecular formula C18H19BrN2O3S2 and molecular weight 454.00 g/mol. IUPAC: ethyl 2-[[3-(4-bromophenyl)-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl]butanoate.
Chemical Property Profile of F0579-0780
Property Insights of F0579-0780
The XLogP value of 4.077 indicates that F0579-0780 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 F0579-0780. Following Lipinski's Rule of Five, F0579-0780 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 F0579-0780?
The CAS number of F0579-0780 is 687567-29-9.
What is the molecular formula of F0579-0780?
The molecular formula of F0579-0780 is C18H19BrN2O3S2.
What is the molecular weight of F0579-0780?
The molecular weight of F0579-0780 is 454.00 g/mol.
Where can I buy F0579-0780?
You can request a quote for F0579-0780 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0579-0780?
Yes, KEHONG BIO provides custom synthesis services for F0579-0780 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.