BAS 00915796
TL;DR: BAS 00915796 (CAS 5613-85-4) is a chemical compound with molecular formula C14H12BrCl3N2O3 and molecular weight 439.91 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2,2-trichloroethyl 4-(3-bromophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
Also Known As: BAS 00915796, 2,2,2-trichloroethyl 4-(3-bromophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate, 2,2,2-trichloroethyl 4-(3-bromophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate, 2,2,2-trichloroethyl 4-(3-bromophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate, 2,2,2-trichloroethyl 6-(3-bromophenyl)-4-methyl-2-oxo-1,3,6-trihydropyrimidine -5-carboxylate
| Molecular Formula | C14H12BrCl3N2O3 |
|---|---|
| Molecular Weight | 439.91 g/mol |
| LogP | 3.9904 |
| Topological Polar Surface Area | 67.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 439.9097 |
| Heavy Atoms | 23 |
| Complexity | 673.4765 |
Chemical Identifiers
| CAS Number | 5613-85-4 |
|---|---|
| SMILES | CC1=C(C(NC(=O)N1)C2=CC(=CC=C2)Br)C(=O)OCC(Cl)(Cl)Cl |
Product Overview
BAS 00915796 (CAS 5613-85-4), with molecular formula C14H12BrCl3N2O3 and molecular weight 439.91 g/mol. IUPAC: 2,2,2-trichloroethyl 4-(3-bromophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate.
Chemical Property Profile of BAS 00915796
Property Insights of BAS 00915796
The XLogP value of 3.9904 indicates that BAS 00915796 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 00915796. Following Lipinski's Rule of Five, BAS 00915796 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 00915796?
The CAS number of BAS 00915796 is 5613-85-4.
What is the molecular formula of BAS 00915796?
The molecular formula of BAS 00915796 is C14H12BrCl3N2O3.
What is the molecular weight of BAS 00915796?
The molecular weight of BAS 00915796 is 439.91 g/mol.
Where can I buy BAS 00915796?
You can request a quote for BAS 00915796 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00915796?
Yes, KEHONG BIO provides custom synthesis services for BAS 00915796 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.