F0579-0839
TL;DR: F0579-0839 (CAS 687568-64-5) is a chemical compound with molecular formula C18H15N5O5S2 and molecular weight 445.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(5-methyl-1,2-oxazol-3-yl)-2-[[3-(4-nitrophenyl)-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl]acetamide
Also Known As: F0579-0839, N-(5-methyl-1,2-oxazol-3-yl)-2-{[3-(4-nitrophenyl)-4-oxo-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide, N-(5-methyl-1,2-oxazol-3-yl)-2-[[3-(4-nitrophenyl)-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl]acetamide, N-(5-methylisoxazol-3-yl)-2-((3-(4-nitrophenyl)-4-oxo-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl)thio)acetamide
| Molecular Formula | C18H15N5O5S2 |
|---|---|
| Molecular Weight | 445.05 g/mol |
| LogP | 2.81612 |
| Topological Polar Surface Area | 133.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 445.05145 |
| Heavy Atoms | 30 |
| Complexity | 1188.6681 |
Chemical Identifiers
| CAS Number | 687568-64-5 |
|---|---|
| SMILES | CC1=CC(=NO1)NC(=O)CSC2=NC3=C(C(=O)N2C4=CC=C(C=C4)[N+](=O)[O-])SCC3 |
Product Overview
F0579-0839 (CAS 687568-64-5), with molecular formula C18H15N5O5S2 and molecular weight 445.05 g/mol. IUPAC: N-(5-methyl-1,2-oxazol-3-yl)-2-[[3-(4-nitrophenyl)-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl]acetamide.
Chemical Property Profile of F0579-0839
Property Insights of F0579-0839
The XLogP value of 2.81612 suggests moderate lipophilicity, balancing water solubility and membrane permeability for F0579-0839. The TPSA of 133.16 Ų falls within the moderate polarity range, balancing permeability and solubility for F0579-0839. Following Lipinski's Rule of Five, F0579-0839 has 1 hydrogen bond donor(s) and 9 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 F0579-0839?
The CAS number of F0579-0839 is 687568-64-5.
What is the molecular formula of F0579-0839?
The molecular formula of F0579-0839 is C18H15N5O5S2.
What is the molecular weight of F0579-0839?
The molecular weight of F0579-0839 is 445.05 g/mol.
Where can I buy F0579-0839?
You can request a quote for F0579-0839 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0579-0839?
Yes, KEHONG BIO provides custom synthesis services for F0579-0839 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.