F2800-0083
TL;DR: F2800-0083 (CAS 899749-52-1) is a chemical compound with molecular formula C16H18N2O3S and molecular weight 318.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-methyl-4-[(2-methylphenyl)methylsulfanyl]-2-oxo-1H-pyrimidine-5-carboxylate
Also Known As: F2800-0083, ethyl 6-methyl-4-((2-methylbenzyl)thio)-2-oxo-1,2-dihydropyrimidine-5-carboxylate, ethyl 6-methyl-4-[(2-methylphenyl)methylsulfanyl]-2-oxo-1H-pyrimidine-5-carboxylate
| Molecular Formula | C16H18N2O3S |
|---|---|
| Molecular Weight | 318.10 g/mol |
| LogP | 2.85574 |
| Topological Polar Surface Area | 72.05 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 318.10382 |
| Heavy Atoms | 22 |
| Complexity | 740.4111 |
Chemical Identifiers
| CAS Number | 899749-52-1 |
|---|---|
| SMILES | CCOC(=O)C1=C(NC(=O)N=C1SCC2=CC=CC=C2C)C |
Product Overview
F2800-0083 (CAS 899749-52-1), with molecular formula C16H18N2O3S and molecular weight 318.10 g/mol. IUPAC: ethyl 6-methyl-4-[(2-methylphenyl)methylsulfanyl]-2-oxo-1H-pyrimidine-5-carboxylate.
Chemical Property Profile of F2800-0083
Property Insights of F2800-0083
The XLogP value of 2.85574 suggests moderate lipophilicity, balancing water solubility and membrane permeability for F2800-0083. The TPSA of 72.05 Ų falls within the moderate polarity range, balancing permeability and solubility for F2800-0083. Following Lipinski's Rule of Five, F2800-0083 has 1 hydrogen bond donor(s) and 5 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 F2800-0083?
The CAS number of F2800-0083 is 899749-52-1.
What is the molecular formula of F2800-0083?
The molecular formula of F2800-0083 is C16H18N2O3S.
What is the molecular weight of F2800-0083?
The molecular weight of F2800-0083 is 318.10 g/mol.
Where can I buy F2800-0083?
You can request a quote for F2800-0083 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F2800-0083?
Yes, KEHONG BIO provides custom synthesis services for F2800-0083 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.