F0579-0009
TL;DR: F0579-0009 (CAS 686770-12-7) is a chemical compound with molecular formula C21H24N4O4S2 and molecular weight 460.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[2-[(4-oxo-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]acetyl]piperazine-1-carboxylate
Also Known As: F0579-0009, ethyl 4-(2-((4-oxo-3-phenyl-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl)thio)acetyl)piperazine-1-carboxylate, ethyl 4-[2-({4-oxo-3-phenyl-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-2-yl}sulfanyl)acetyl]piperazine-1-carboxylate, ethyl 4-[2-[(4-oxo-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]acetyl]piperazine-1-carboxylate
| Molecular Formula | C21H24N4O4S2 |
|---|---|
| Molecular Weight | 460.12 g/mol |
| LogP | 2.2735 |
| Topological Polar Surface Area | 84.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 460.1239 |
| Heavy Atoms | 31 |
| Complexity | 1020.0301 |
Chemical Identifiers
| CAS Number | 686770-12-7 |
|---|---|
| SMILES | CCOC(=O)N1CCN(CC1)C(=O)CSC2=NC3=C(C(=O)N2C4=CC=CC=C4)SCC3 |
Product Overview
F0579-0009 (CAS 686770-12-7), with molecular formula C21H24N4O4S2 and molecular weight 460.12 g/mol. IUPAC: ethyl 4-[2-[(4-oxo-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]acetyl]piperazine-1-carboxylate.
Chemical Property Profile of F0579-0009
Property Insights of F0579-0009
The XLogP value of 2.2735 suggests moderate lipophilicity, balancing water solubility and membrane permeability for F0579-0009. The TPSA of 84.74 Ų falls within the moderate polarity range, balancing permeability and solubility for F0579-0009. Following Lipinski's Rule of Five, F0579-0009 has 0 hydrogen bond donor(s) and 7 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 F0579-0009?
The CAS number of F0579-0009 is 686770-12-7.
What is the molecular formula of F0579-0009?
The molecular formula of F0579-0009 is C21H24N4O4S2.
What is the molecular weight of F0579-0009?
The molecular weight of F0579-0009 is 460.12 g/mol.
Where can I buy F0579-0009?
You can request a quote for F0579-0009 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0579-0009?
Yes, KEHONG BIO provides custom synthesis services for F0579-0009 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.