ChemDiv1_003086
TL;DR: ChemDiv1_003086 (CAS 333328-15-7) is a chemical compound with molecular formula C19H15F4N3O2S and molecular weight 425.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-fluorophenyl)-3-methyl-4-oxo-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazinane-6-carboxamide
Also Known As: ChemDiv1_003086, BAS 02239445, (2Z)-N-(2-fluorophenyl)-3-methyl-4-oxo-2-{[3-(trifluoromethyl)phenyl]imino}-1,3-thiazinane-6-carboxamide, (E)-N-(2-fluorophenyl)-3-methyl-4-oxo-2-((3-(trifluoromethyl)phenyl)imino)-1,3-thiazinane-6-carboxamide, N-(2-fluorophenyl)-3-methyl-4-oxo-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazinane-6-carboxamide
| Molecular Formula | C19H15F4N3O2S |
|---|---|
| Molecular Weight | 425.08 g/mol |
| LogP | 4.4346 |
| Topological Polar Surface Area | 61.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 425.08212 |
| Heavy Atoms | 29 |
| Complexity | 977.92175 |
Chemical Identifiers
| CAS Number | 333328-15-7 |
|---|---|
| SMILES | CN1C(=O)CC(SC1=NC2=CC=CC(=C2)C(F)(F)F)C(=O)NC3=CC=CC=C3F |
Product Overview
ChemDiv1_003086 (CAS 333328-15-7), with molecular formula C19H15F4N3O2S and molecular weight 425.08 g/mol. IUPAC: N-(2-fluorophenyl)-3-methyl-4-oxo-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazinane-6-carboxamide.
Chemical Property Profile of ChemDiv1_003086
Property Insights of ChemDiv1_003086
The XLogP value of 4.4346 indicates that ChemDiv1_003086 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.77 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_003086. Following Lipinski's Rule of Five, ChemDiv1_003086 has 1 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 ChemDiv1_003086?
The CAS number of ChemDiv1_003086 is 333328-15-7.
What is the molecular formula of ChemDiv1_003086?
The molecular formula of ChemDiv1_003086 is C19H15F4N3O2S.
What is the molecular weight of ChemDiv1_003086?
The molecular weight of ChemDiv1_003086 is 425.08 g/mol.
Where can I buy ChemDiv1_003086?
You can request a quote for ChemDiv1_003086 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_003086?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_003086 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.