BAS 03538333
TL;DR: BAS 03538333 (CAS 1005066-38-5) is a chemical compound with molecular formula C20H20F3N3O5S and molecular weight 471.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[4-hydroxy-2-oxo-6-phenyl-4-(trifluoromethyl)-1,3-diazinane-5-carbonyl]-N,N-dimethylbenzenesulfonamide
Also Known As: BAS 03538333, 4-{[4-hydroxy-2-oxo-6-phenyl-4-(trifluoromethyl)hexahydropyrimidin-5-yl]carbonyl}-N,N-dimethylbenzenesulfonamide, 4-(4-hydroxy-2-oxo-6-phenyl-4-(trifluoromethyl)hexahydropyrimidine-5-carbonyl)-N,N-dimethylbenzenesulfonamide, 4-[4-hydroxy-2-oxo-6-phenyl-4-(trifluoromethyl)-1,3-diazinane-5-carbonyl]-N,N-dimethylbenzenesulfonamide, 4-{[4-hydroxy-2-oxo-6-phenyl-4-(trifluoromethyl)hexahydro-5-pyrimidinyl]carbonyl}-N,N-dimethylbenzenesulfonamide
| Molecular Formula | C20H20F3N3O5S |
|---|---|
| Molecular Weight | 471.11 g/mol |
| LogP | 2.0408 |
| Topological Polar Surface Area | 115.81 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 471.10757 |
| Heavy Atoms | 32 |
| Complexity | 1121.4194 |
Chemical Identifiers
| CAS Number | 1005066-38-5 |
|---|---|
| SMILES | CN(C)S(=O)(=O)C1=CC=C(C=C1)C(=O)C2C(NC(=O)NC2(C(F)(F)F)O)C3=CC=CC=C3 |
Product Overview
BAS 03538333 (CAS 1005066-38-5), with molecular formula C20H20F3N3O5S and molecular weight 471.11 g/mol. IUPAC: 4-[4-hydroxy-2-oxo-6-phenyl-4-(trifluoromethyl)-1,3-diazinane-5-carbonyl]-N,N-dimethylbenzenesulfonamide.
Chemical Property Profile of BAS 03538333
Property Insights of BAS 03538333
The XLogP value of 2.0408 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 03538333. The TPSA of 115.81 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 03538333. Following Lipinski's Rule of Five, BAS 03538333 has 3 hydrogen bond donor(s) and 5 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 03538333?
The CAS number of BAS 03538333 is 1005066-38-5.
What is the molecular formula of BAS 03538333?
The molecular formula of BAS 03538333 is C20H20F3N3O5S.
What is the molecular weight of BAS 03538333?
The molecular weight of BAS 03538333 is 471.11 g/mol.
Where can I buy BAS 03538333?
You can request a quote for BAS 03538333 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 03538333?
Yes, KEHONG BIO provides custom synthesis services for BAS 03538333 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.