F2800-0058
TL;DR: F2800-0058 (CAS 900002-29-1) is a chemical compound with molecular formula C17H18FN3O4S and molecular weight 379.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]sulfanyl-6-methyl-2-oxo-1H-pyrimidine-5-carboxylate
Also Known As: F2800-0058, ethyl 4-((2-((4-fluorobenzyl)amino)-2-oxoethyl)thio)-6-methyl-2-oxo-1,2-dihydropyrimidine-5-carboxylate, ethyl 4-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]sulfanyl-6-methyl-2-oxo-1H-pyrimidine-5-carboxylate, ethyl 4-[({[(4-fluorophenyl)methyl]carbamoyl}methyl)sulfanyl]-6-methyl-2-oxo-1,2-dihydropyrimidine-5-carboxylate
| Molecular Formula | C17H18FN3O4S |
|---|---|
| Molecular Weight | 379.10 g/mol |
| LogP | 1.80262 |
| Topological Polar Surface Area | 101.15 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 379.10022 |
| Heavy Atoms | 26 |
| Complexity | 852.0768 |
Chemical Identifiers
| CAS Number | 900002-29-1 |
|---|---|
| SMILES | CCOC(=O)C1=C(NC(=O)N=C1SCC(=O)NCC2=CC=C(C=C2)F)C |
Product Overview
F2800-0058 (CAS 900002-29-1), with molecular formula C17H18FN3O4S and molecular weight 379.10 g/mol. IUPAC: ethyl 4-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]sulfanyl-6-methyl-2-oxo-1H-pyrimidine-5-carboxylate.
Chemical Property Profile of F2800-0058
Property Insights of F2800-0058
The XLogP value of 1.80262 suggests moderate lipophilicity, balancing water solubility and membrane permeability for F2800-0058. The TPSA of 101.15 Ų falls within the moderate polarity range, balancing permeability and solubility for F2800-0058. Following Lipinski's Rule of Five, F2800-0058 has 2 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 F2800-0058?
The CAS number of F2800-0058 is 900002-29-1.
What is the molecular formula of F2800-0058?
The molecular formula of F2800-0058 is C17H18FN3O4S.
What is the molecular weight of F2800-0058?
The molecular weight of F2800-0058 is 379.10 g/mol.
Where can I buy F2800-0058?
You can request a quote for F2800-0058 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F2800-0058?
Yes, KEHONG BIO provides custom synthesis services for F2800-0058 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.