BAS 00915747
TL;DR: BAS 00915747 (CAS 5613-29-6) is a chemical compound with molecular formula C14H12Cl3FN2O3 and molecular weight 379.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2,2-trichloroethyl 4-(2-fluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
Also Known As: BAS 00915747, BIM-0025983.P001, 2,2,2-trichloroethyl 4-(2-fluorophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate, 2,2,2-trichloroethyl 4-(2-fluorophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate, 2,2,2-trichloroethyl 4-(2-fluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
| Molecular Formula | C14H12Cl3FN2O3 |
|---|---|
| Molecular Weight | 379.99 g/mol |
| LogP | 3.367 |
| Topological Polar Surface Area | 67.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 379.98975 |
| Heavy Atoms | 23 |
| Complexity | 673.4765 |
Chemical Identifiers
| CAS Number | 5613-29-6 |
|---|---|
| SMILES | CC1=C(C(NC(=O)N1)C2=CC=CC=C2F)C(=O)OCC(Cl)(Cl)Cl |
Product Overview
BAS 00915747 (CAS 5613-29-6), with molecular formula C14H12Cl3FN2O3 and molecular weight 379.99 g/mol. IUPAC: 2,2,2-trichloroethyl 4-(2-fluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate.
Chemical Property Profile of BAS 00915747
Property Insights of BAS 00915747
The XLogP value of 3.367 indicates that BAS 00915747 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.43 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00915747. Following Lipinski's Rule of Five, BAS 00915747 has 2 hydrogen bond donor(s) and 3 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 00915747?
The CAS number of BAS 00915747 is 5613-29-6.
What is the molecular formula of BAS 00915747?
The molecular formula of BAS 00915747 is C14H12Cl3FN2O3.
What is the molecular weight of BAS 00915747?
The molecular weight of BAS 00915747 is 379.99 g/mol.
Where can I buy BAS 00915747?
You can request a quote for BAS 00915747 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00915747?
Yes, KEHONG BIO provides custom synthesis services for BAS 00915747 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.