F0579-0454
TL;DR: F0579-0454 (CAS 686772-54-3) is a chemical compound with molecular formula C23H23N3O3S2 and molecular weight 453.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-benzyl-2-[[3-(4-ethoxyphenyl)-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl]acetamide
Also Known As: F0579-0454, N-benzyl-2-((3-(4-ethoxyphenyl)-4-oxo-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl)thio)acetamide, N-benzyl-2-[[3-(4-ethoxyphenyl)-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl]acetamide, N-benzyl-2-{[3-(4-ethoxyphenyl)-4-oxo-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide
| Molecular Formula | C23H23N3O3S2 |
|---|---|
| Molecular Weight | 453.12 g/mol |
| LogP | 3.6879 |
| Topological Polar Surface Area | 73.22 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 453.11807 |
| Heavy Atoms | 31 |
| Complexity | 1115.4058 |
Chemical Identifiers
| CAS Number | 686772-54-3 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)N2C(=O)C3=C(CCS3)N=C2SCC(=O)NCC4=CC=CC=C4 |
Product Overview
F0579-0454 (CAS 686772-54-3), with molecular formula C23H23N3O3S2 and molecular weight 453.12 g/mol. IUPAC: N-benzyl-2-[[3-(4-ethoxyphenyl)-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl]acetamide.
Chemical Property Profile of F0579-0454
Property Insights of F0579-0454
The XLogP value of 3.6879 indicates that F0579-0454 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 F0579-0454. Following Lipinski's Rule of Five, F0579-0454 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 F0579-0454?
The CAS number of F0579-0454 is 686772-54-3.
What is the molecular formula of F0579-0454?
The molecular formula of F0579-0454 is C23H23N3O3S2.
What is the molecular weight of F0579-0454?
The molecular weight of F0579-0454 is 453.12 g/mol.
Where can I buy F0579-0454?
You can request a quote for F0579-0454 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0579-0454?
Yes, KEHONG BIO provides custom synthesis services for F0579-0454 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.