AF-399/13855026
TL;DR: AF-399/13855026 (CAS 382149-78-2) is a chemical compound with molecular formula C16H12BrF3N2O3S and molecular weight 447.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(4-bromophenyl)-4-hydroxy-5-(thiophene-2-carbonyl)-4-(trifluoromethyl)-1,3-diazinan-2-one
Also Known As: AF-399/13855026, 6-(4-bromophenyl)-4-hydroxy-5-(thiophene-2-carbonyl)-4-(trifluoromethyl)-1,3-diazinan-2-one, 6-(4-bromophenyl)-4-hydroxy-5-(2-thienylcarbonyl)-4-(trifluoromethyl)-1,3-diaz aperhydroin-2-one, 6-(4-bromophenyl)-4-hydroxy-5-(2-thienylcarbonyl)-4-(trifluoromethyl)tetrahydro-2(1H)-pyrimidinone, 6-(4-bromophenyl)-4-hydroxy-5-(thiophen-2-ylcarbonyl)-4-(trifluoromethyl)tetrahydropyrimidin-2(1H)-one
| Molecular Formula | C16H12BrF3N2O3S |
|---|---|
| Molecular Weight | 447.97 g/mol |
| LogP | 3.6145 |
| Topological Polar Surface Area | 78.43 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 447.9704 |
| Heavy Atoms | 26 |
| Complexity | 826.26556 |
Chemical Identifiers
| CAS Number | 382149-78-2 |
|---|---|
| SMILES | C1=CSC(=C1)C(=O)C2C(NC(=O)NC2(C(F)(F)F)O)C3=CC=C(C=C3)Br |
Product Overview
AF-399/13855026 (CAS 382149-78-2), with molecular formula C16H12BrF3N2O3S and molecular weight 447.97 g/mol. IUPAC: 6-(4-bromophenyl)-4-hydroxy-5-(thiophene-2-carbonyl)-4-(trifluoromethyl)-1,3-diazinan-2-one.
Chemical Property Profile of AF-399/13855026
Property Insights of AF-399/13855026
The XLogP value of 3.6145 indicates that AF-399/13855026 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 AF-399/13855026. Following Lipinski's Rule of Five, AF-399/13855026 has 3 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 AF-399/13855026?
The CAS number of AF-399/13855026 is 382149-78-2.
What is the molecular formula of AF-399/13855026?
The molecular formula of AF-399/13855026 is C16H12BrF3N2O3S.
What is the molecular weight of AF-399/13855026?
The molecular weight of AF-399/13855026 is 447.97 g/mol.
Where can I buy AF-399/13855026?
You can request a quote for AF-399/13855026 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/13855026?
Yes, KEHONG BIO provides custom synthesis services for AF-399/13855026 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.