F0579-0894
TL;DR: F0579-0894 (CAS 850916-06-2) is a chemical compound with molecular formula C21H17ClN4O4S2 and molecular weight 488.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-chloro-4-methylphenyl)-2-[[3-(4-nitrophenyl)-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl]acetamide
Also Known As: F0579-0894, N-(3-chloro-4-methylphenyl)-2-{[3-(4-nitrophenyl)-4-oxo-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide, N-(3-chloro-4-methylphenyl)-2-((3-(4-nitrophenyl)-4-oxo-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl)thio)acetamide, N-(3-chloro-4-methylphenyl)-2-[[3-(4-nitrophenyl)-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl]acetamide
| Molecular Formula | C21H17ClN4O4S2 |
|---|---|
| Molecular Weight | 488.04 g/mol |
| LogP | 4.48152 |
| Topological Polar Surface Area | 107.13 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 488.03796 |
| Heavy Atoms | 32 |
| Complexity | 1278.0266 |
Chemical Identifiers
| CAS Number | 850916-06-2 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)NC(=O)CSC2=NC3=C(C(=O)N2C4=CC=C(C=C4)[N+](=O)[O-])SCC3)Cl |
Product Overview
F0579-0894 (CAS 850916-06-2), with molecular formula C21H17ClN4O4S2 and molecular weight 488.04 g/mol. IUPAC: N-(3-chloro-4-methylphenyl)-2-[[3-(4-nitrophenyl)-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl]acetamide.
Chemical Property Profile of F0579-0894
Property Insights of F0579-0894
The XLogP value of 4.48152 indicates that F0579-0894 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 107.13 Ų falls within the moderate polarity range, balancing permeability and solubility for F0579-0894. Following Lipinski's Rule of Five, F0579-0894 has 1 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 F0579-0894?
The CAS number of F0579-0894 is 850916-06-2.
What is the molecular formula of F0579-0894?
The molecular formula of F0579-0894 is C21H17ClN4O4S2.
What is the molecular weight of F0579-0894?
The molecular weight of F0579-0894 is 488.04 g/mol.
Where can I buy F0579-0894?
You can request a quote for F0579-0894 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0579-0894?
Yes, KEHONG BIO provides custom synthesis services for F0579-0894 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.