A2513/0106738
TL;DR: A2513/0106738 (CAS 346716-76-5) is a chemical compound with molecular formula C17H19F3N2O3 and molecular weight 356.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butan-2-yl 6-methyl-2-oxo-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate
Also Known As: A2513/0106738, butan-2-yl 6-methyl-2-oxo-4-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate, 1-methylpropyl 6-methyl-2-oxo-4-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate, butan-2-yl 6-methyl-2-oxo-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate, Pyrimidine-5-carboxylic acid, 1,2,3,4-tetrahydro-4-(4-trifluoromethylphenyl)-6-methyl-2-oxo-, 1-methylpropyl ester
| Molecular Formula | C17H19F3N2O3 |
|---|---|
| Molecular Weight | 356.13 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 67.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 356.13477 |
| Heavy Atoms | 25 |
| Complexity | 552.0 |
Chemical Identifiers
| CAS Number | 346716-76-5 |
|---|---|
| SMILES | CCC(C)OC(=O)C1=C(NC(=O)NC1C2=CC=C(C=C2)C(F)(F)F)C |
| InChIKey | VCCZMLWAYPONJP-UHFFFAOYSA-N |
Product Overview
A2513/0106738 (CAS 346716-76-5), with molecular formula C17H19F3N2O3 and molecular weight 356.13 g/mol. IUPAC: butan-2-yl 6-methyl-2-oxo-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate.
Chemical Property Profile of A2513/0106738
Property Insights of A2513/0106738
The XLogP value of 3.2 indicates that A2513/0106738 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.4 Ų falls within the moderate polarity range, balancing permeability and solubility for A2513/0106738. Following Lipinski's Rule of Five, A2513/0106738 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 A2513/0106738?
The CAS number of A2513/0106738 is 346716-76-5.
What is the molecular formula of A2513/0106738?
The molecular formula of A2513/0106738 is C17H19F3N2O3.
What is the molecular weight of A2513/0106738?
The molecular weight of A2513/0106738 is 356.13 g/mol.
Where can I buy A2513/0106738?
You can request a quote for A2513/0106738 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A2513/0106738?
Yes, KEHONG BIO provides custom synthesis services for A2513/0106738 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.