F2800-0044
TL;DR: F2800-0044 (CAS 899749-40-7) is a chemical compound with molecular formula C18H21N3O5S and molecular weight 391.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl-6-methyl-2-oxo-1H-pyrimidine-5-carboxylate
Also Known As: F2800-0044, ethyl 4-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl-6-methyl-2-oxo-1H-pyrimidine-5-carboxylate, ethyl 4-((2-((4-ethoxyphenyl)amino)-2-oxoethyl)thio)-6-methyl-2-oxo-1,2-dihydropyrimidine-5-carboxylate, ethyl 4-({[(4-ethoxyphenyl)carbamoyl]methyl}sulfanyl)-6-methyl-2-oxo-1,2-dihydropyrimidine-5-carboxylate
| Molecular Formula | C18H21N3O5S |
|---|---|
| Molecular Weight | 391.12 g/mol |
| LogP | 2.38452 |
| Topological Polar Surface Area | 110.38 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 391.12018 |
| Heavy Atoms | 27 |
| Complexity | 864.2911 |
Chemical Identifiers
| CAS Number | 899749-40-7 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)NC(=O)CSC2=NC(=O)NC(=C2C(=O)OCC)C |
Product Overview
F2800-0044 (CAS 899749-40-7), with molecular formula C18H21N3O5S and molecular weight 391.12 g/mol. IUPAC: ethyl 4-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl-6-methyl-2-oxo-1H-pyrimidine-5-carboxylate.
Chemical Property Profile of F2800-0044
Property Insights of F2800-0044
The XLogP value of 2.38452 suggests moderate lipophilicity, balancing water solubility and membrane permeability for F2800-0044. The TPSA of 110.38 Ų falls within the moderate polarity range, balancing permeability and solubility for F2800-0044. Following Lipinski's Rule of Five, F2800-0044 has 2 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 F2800-0044?
The CAS number of F2800-0044 is 899749-40-7.
What is the molecular formula of F2800-0044?
The molecular formula of F2800-0044 is C18H21N3O5S.
What is the molecular weight of F2800-0044?
The molecular weight of F2800-0044 is 391.12 g/mol.
Where can I buy F2800-0044?
You can request a quote for F2800-0044 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F2800-0044?
Yes, KEHONG BIO provides custom synthesis services for F2800-0044 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.