ChemDiv1_003093
TL;DR: ChemDiv1_003093 (CAS 442536-33-6) is a chemical compound with molecular formula C21H20F3N3O2S and molecular weight 435.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-4-oxo-N-(2-phenylethyl)-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazinane-6-carboxamide
Also Known As: ChemDiv1_003093, 3-methyl-4-oxo-N-phenethyl-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazinane-6-carboxamide, (2Z)-3-methyl-4-oxo-N-(2-phenylethyl)-2-{[3-(trifluoromethyl)phenyl]imino}-1,3-thiazinane-6-carboxamide, (E)-3-methyl-4-oxo-N-phenethyl-2-((3-(trifluoromethyl)phenyl)imino)-1,3-thiazinane-6-carboxamide
| Molecular Formula | C21H20F3N3O2S |
|---|---|
| Molecular Weight | 435.12 g/mol |
| LogP | 4.0157 |
| Topological Polar Surface Area | 61.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 435.12283 |
| Heavy Atoms | 30 |
| Complexity | 948.0128 |
Chemical Identifiers
| CAS Number | 442536-33-6 |
|---|---|
| SMILES | CN1C(=O)CC(SC1=NC2=CC=CC(=C2)C(F)(F)F)C(=O)NCCC3=CC=CC=C3 |
Product Overview
ChemDiv1_003093 (CAS 442536-33-6), with molecular formula C21H20F3N3O2S and molecular weight 435.12 g/mol. IUPAC: 3-methyl-4-oxo-N-(2-phenylethyl)-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazinane-6-carboxamide.
Chemical Property Profile of ChemDiv1_003093
Property Insights of ChemDiv1_003093
The XLogP value of 4.0157 indicates that ChemDiv1_003093 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_003093. Following Lipinski's Rule of Five, ChemDiv1_003093 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_003093?
The CAS number of ChemDiv1_003093 is 442536-33-6.
What is the molecular formula of ChemDiv1_003093?
The molecular formula of ChemDiv1_003093 is C21H20F3N3O2S.
What is the molecular weight of ChemDiv1_003093?
The molecular weight of ChemDiv1_003093 is 435.12 g/mol.
Where can I buy ChemDiv1_003093?
You can request a quote for ChemDiv1_003093 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_003093?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_003093 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.