A2331/0098388
TL;DR: A2331/0098388 (CAS 361368-29-8) is a chemical compound with molecular formula C16H19FN2O4 and molecular weight 322.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-(2-fluorophenyl)-3-(2-hydroxyethyl)-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
Also Known As: A2331/0098388, ethyl 4-(2-fluorophenyl)-1-(2-hydroxyethyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate, 4-(2-Fluoro-phenyl)-1-(2-hydroxy-ethyl)-6-methyl-2-oxo-1,2,3,4-tetrahydro-pyrimidine-5-carboxylic acid ethyl ester, Ethyl 4-(2-fluorophenyl)-1-(2-hydroxyethyl)-6-methyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate #, ethyl 6-(2-fluorophenyl)-3-(2-hydroxyethyl)-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
| Molecular Formula | C16H19FN2O4 |
|---|---|
| Molecular Weight | 322.13 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 78.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 322.13287 |
| Heavy Atoms | 23 |
| Complexity | 494.0 |
Chemical Identifiers
| CAS Number | 361368-29-8 |
|---|---|
| SMILES | CCOC(=O)C1=C(N(C(=O)NC1C2=CC=CC=C2F)CCO)C |
| InChIKey | WBXHDLZCHODMGR-UHFFFAOYSA-N |
Product Overview
A2331/0098388 (CAS 361368-29-8), with molecular formula C16H19FN2O4 and molecular weight 322.13 g/mol. IUPAC: ethyl 6-(2-fluorophenyl)-3-(2-hydroxyethyl)-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate.
Chemical Property Profile of A2331/0098388
Property Insights of A2331/0098388
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A2331/0098388. The TPSA of 78.9 Ų falls within the moderate polarity range, balancing permeability and solubility for A2331/0098388. Following Lipinski's Rule of Five, A2331/0098388 has 2 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 A2331/0098388?
The CAS number of A2331/0098388 is 361368-29-8.
What is the molecular formula of A2331/0098388?
The molecular formula of A2331/0098388 is C16H19FN2O4.
What is the molecular weight of A2331/0098388?
The molecular weight of A2331/0098388 is 322.13 g/mol.
Where can I buy A2331/0098388?
You can request a quote for A2331/0098388 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A2331/0098388?
Yes, KEHONG BIO provides custom synthesis services for A2331/0098388 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.