BAS 03771894
TL;DR: BAS 03771894 (CAS 459152-91-1) is a chemical compound with molecular formula C19H15F3N2O5 and molecular weight 408.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[5-benzoyl-6-hydroxy-2-oxo-6-(trifluoromethyl)-1,3-diazinan-4-yl]benzoic acid
Also Known As: BAS 03771894, AF-399/15103009, 4-[6-hydroxy-2-oxo-5-(phenylcarbonyl)-6-(trifluoromethyl)hexahydropyrimidin-4-yl]benzoic acid, 4-[5-benzoyl-6-hydroxy-2-oxo-6-(trifluoromethyl)-1,3-diazinan-4-yl]benzoic acid, 4-(5-benzoyl-6-hydroxy-2-oxo-6-(trifluoromethyl)hexahydropyrimidin-4-yl)benzoic acid
| Molecular Formula | C19H15F3N2O5 |
|---|---|
| Molecular Weight | 408.09 g/mol |
| LogP | 2.4887 |
| Topological Polar Surface Area | 115.73 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 408.0933 |
| Heavy Atoms | 29 |
| Complexity | 946.567 |
Chemical Identifiers
| CAS Number | 459152-91-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)C2C(NC(=O)NC2(C(F)(F)F)O)C3=CC=C(C=C3)C(=O)O |
Product Overview
BAS 03771894 (CAS 459152-91-1), with molecular formula C19H15F3N2O5 and molecular weight 408.09 g/mol. IUPAC: 4-[5-benzoyl-6-hydroxy-2-oxo-6-(trifluoromethyl)-1,3-diazinan-4-yl]benzoic acid.
Chemical Property Profile of BAS 03771894
Property Insights of BAS 03771894
The XLogP value of 2.4887 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 03771894. The TPSA of 115.73 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 03771894. Following Lipinski's Rule of Five, BAS 03771894 has 4 hydrogen bond donor(s) and 4 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 03771894?
The CAS number of BAS 03771894 is 459152-91-1.
What is the molecular formula of BAS 03771894?
The molecular formula of BAS 03771894 is C19H15F3N2O5.
What is the molecular weight of BAS 03771894?
The molecular weight of BAS 03771894 is 408.09 g/mol.
Where can I buy BAS 03771894?
You can request a quote for BAS 03771894 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 03771894?
Yes, KEHONG BIO provides custom synthesis services for BAS 03771894 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.