BAS 03353552
TL;DR: BAS 03353552 (CAS 474005-17-9) is a chemical compound with molecular formula C19H16ClF3N2O3 and molecular weight 412.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-chlorobenzoyl)-4-hydroxy-6-(4-methylphenyl)-4-(trifluoromethyl)-1,3-diazinan-2-one
Also Known As: BAS 03353552, AB00117107-01, 5-(4-chlorobenzoyl)-4-hydroxy-6-(4-methylphenyl)-4-(trifluoromethyl)-1,3-diazinan-2-one, 5-(4-chlorobenzoyl)-4-hydroxy-6-(4-methylphenyl)-4-(trifluoromethyl)tetrahydro-2(1H)-pyrimidinone, 5-[(4-chlorophenyl)carbonyl]-4-hydroxy-6-(4-methylphenyl)-4-(trifluoromethyl)tetrahydropyrimidin-2(1H)-one
| Molecular Formula | C19H16ClF3N2O3 |
|---|---|
| Molecular Weight | 412.08 g/mol |
| LogP | 3.75232 |
| Topological Polar Surface Area | 78.43 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 412.08017 |
| Heavy Atoms | 28 |
| Complexity | 900.135 |
Chemical Identifiers
| CAS Number | 474005-17-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2C(C(NC(=O)N2)(C(F)(F)F)O)C(=O)C3=CC=C(C=C3)Cl |
Product Overview
BAS 03353552 (CAS 474005-17-9), with molecular formula C19H16ClF3N2O3 and molecular weight 412.08 g/mol. IUPAC: 5-(4-chlorobenzoyl)-4-hydroxy-6-(4-methylphenyl)-4-(trifluoromethyl)-1,3-diazinan-2-one.
Chemical Property Profile of BAS 03353552
Property Insights of BAS 03353552
The XLogP value of 3.75232 indicates that BAS 03353552 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.43 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 03353552. Following Lipinski's Rule of Five, BAS 03353552 has 3 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 03353552?
The CAS number of BAS 03353552 is 474005-17-9.
What is the molecular formula of BAS 03353552?
The molecular formula of BAS 03353552 is C19H16ClF3N2O3.
What is the molecular weight of BAS 03353552?
The molecular weight of BAS 03353552 is 412.08 g/mol.
Where can I buy BAS 03353552?
You can request a quote for BAS 03353552 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 03353552?
Yes, KEHONG BIO provides custom synthesis services for BAS 03353552 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.