BAS 00336668
TL;DR: BAS 00336668 (CAS 112080-29-2) is a chemical compound with molecular formula C15H15F3N2O3 and molecular weight 328.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-methyl-2-oxo-4-[2-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate
Also Known As: BAS 00336668, J1.196.703E, AE-842/34020059, ethyl 6-methyl-2-oxo-4-[2-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate, ethyl 6-methyl-2-oxo-4-[2-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate
| Molecular Formula | C15H15F3N2O3 |
|---|---|
| Molecular Weight | 328.10 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 67.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 328.1035 |
| Heavy Atoms | 23 |
| Complexity | 517.0 |
Chemical Identifiers
| CAS Number | 112080-29-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(NC(=O)NC1C2=CC=CC=C2C(F)(F)F)C |
| InChIKey | GHZGHHLJVPVHAJ-UHFFFAOYSA-N |
Product Overview
BAS 00336668 (CAS 112080-29-2), with molecular formula C15H15F3N2O3 and molecular weight 328.10 g/mol. IUPAC: ethyl 6-methyl-2-oxo-4-[2-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate.
Chemical Property Profile of BAS 00336668
Property Insights of BAS 00336668
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00336668. The TPSA of 67.4 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00336668. Following Lipinski's Rule of Five, BAS 00336668 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 BAS 00336668?
The CAS number of BAS 00336668 is 112080-29-2.
What is the molecular formula of BAS 00336668?
The molecular formula of BAS 00336668 is C15H15F3N2O3.
What is the molecular weight of BAS 00336668?
The molecular weight of BAS 00336668 is 328.10 g/mol.
Where can I buy BAS 00336668?
You can request a quote for BAS 00336668 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00336668?
Yes, KEHONG BIO provides custom synthesis services for BAS 00336668 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.