F0579-0455
TL;DR: F0579-0455 (CAS 686772-55-4) is a chemical compound with molecular formula C23H22FN3O3S2 and molecular weight 471.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[3-(4-ethoxyphenyl)-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl]-N-[(4-fluorophenyl)methyl]acetamide
Also Known As: F0579-0455, 2-((3-(4-ethoxyphenyl)-4-oxo-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl)thio)-N-(4-fluorobenzyl)acetamide, 2-[[3-(4-ethoxyphenyl)-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl]-N-[(4-fluorophenyl)methyl]acetamide, 2-{[3-(4-ethoxyphenyl)-4-oxo-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-2-yl]sulfanyl}-N-[(4-fluorophenyl)methyl]acetamide
| Molecular Formula | C23H22FN3O3S2 |
|---|---|
| Molecular Weight | 471.11 g/mol |
| LogP | 3.827 |
| Topological Polar Surface Area | 73.22 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 471.10867 |
| Heavy Atoms | 32 |
| Complexity | 1164.8444 |
Chemical Identifiers
| CAS Number | 686772-55-4 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)N2C(=O)C3=C(CCS3)N=C2SCC(=O)NCC4=CC=C(C=C4)F |
Product Overview
F0579-0455 (CAS 686772-55-4), with molecular formula C23H22FN3O3S2 and molecular weight 471.11 g/mol. IUPAC: 2-[[3-(4-ethoxyphenyl)-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl]-N-[(4-fluorophenyl)methyl]acetamide.
Chemical Property Profile of F0579-0455
Property Insights of F0579-0455
The XLogP value of 3.827 indicates that F0579-0455 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.22 Ų falls within the moderate polarity range, balancing permeability and solubility for F0579-0455. Following Lipinski's Rule of Five, F0579-0455 has 1 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 F0579-0455?
The CAS number of F0579-0455 is 686772-55-4.
What is the molecular formula of F0579-0455?
The molecular formula of F0579-0455 is C23H22FN3O3S2.
What is the molecular weight of F0579-0455?
The molecular weight of F0579-0455 is 471.11 g/mol.
Where can I buy F0579-0455?
You can request a quote for F0579-0455 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0579-0455?
Yes, KEHONG BIO provides custom synthesis services for F0579-0455 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.