F0579-0497
TL;DR: F0579-0497 (CAS 686772-90-7) is a chemical compound with molecular formula C21H18ClFN2O2S2 and molecular weight 448.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-3-(4-ethoxyphenyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-one
Also Known As: F0579-0497, 2-((2-chloro-6-fluorobenzyl)thio)-3-(4-ethoxyphenyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4(3H)-one, 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-3-(4-ethoxyphenyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-one, 2-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-3-(4-ethoxyphenyl)-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-4-one
| Molecular Formula | C21H18ClFN2O2S2 |
|---|---|
| Molecular Weight | 448.05 g/mol |
| LogP | 5.3642 |
| Topological Polar Surface Area | 44.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 448.04822 |
| Heavy Atoms | 29 |
| Complexity | 1082.8206 |
Chemical Identifiers
| CAS Number | 686772-90-7 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)N2C(=O)C3=C(CCS3)N=C2SCC4=C(C=CC=C4Cl)F |
Product Overview
F0579-0497 (CAS 686772-90-7), with molecular formula C21H18ClFN2O2S2 and molecular weight 448.05 g/mol. IUPAC: 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-3-(4-ethoxyphenyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-one.
Chemical Property Profile of F0579-0497
Property Insights of F0579-0497
The XLogP value of 5.3642 indicates that F0579-0497 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.12 Ų, F0579-0497 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, F0579-0497 has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of F0579-0497?
The CAS number of F0579-0497 is 686772-90-7.
What is the molecular formula of F0579-0497?
The molecular formula of F0579-0497 is C21H18ClFN2O2S2.
What is the molecular weight of F0579-0497?
The molecular weight of F0579-0497 is 448.05 g/mol.
Where can I buy F0579-0497?
You can request a quote for F0579-0497 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0579-0497?
Yes, KEHONG BIO provides custom synthesis services for F0579-0497 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.