ChemDiv1_003009
TL;DR: ChemDiv1_003009 (CAS 333328-01-1) is a chemical compound with molecular formula C20H18F3N3O3S and molecular weight 437.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-methoxyphenyl)-3-methyl-4-oxo-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazinane-6-carboxamide
Also Known As: ChemDiv1_003009, BAS 02239270, (E)-N-(2-methoxyphenyl)-3-methyl-4-oxo-2-((3-(trifluoromethyl)phenyl)imino)-1,3-thiazinane-6-carboxamide, (2E)-N-(2-METHOXYPHENYL)-3-METHYL-4-OXO-2-{[3-(TRIFLUOROMETHYL)PHENYL]IMINO}-1,3-THIAZINANE-6-CARBOXAMIDE, (2Z)-N-(2-methoxyphenyl)-3-methyl-4-oxo-2-{[3-(trifluoromethyl)phenyl]imino}-1,3-thiazinane-6-carboxamide
| Molecular Formula | C20H18F3N3O3S |
|---|---|
| Molecular Weight | 437.10 g/mol |
| LogP | 4.3041 |
| Topological Polar Surface Area | 71.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 437.1021 |
| Heavy Atoms | 30 |
| Complexity | 994.50226 |
Chemical Identifiers
| CAS Number | 333328-01-1 |
|---|---|
| SMILES | CN1C(=O)CC(SC1=NC2=CC=CC(=C2)C(F)(F)F)C(=O)NC3=CC=CC=C3OC |
Product Overview
ChemDiv1_003009 (CAS 333328-01-1), with molecular formula C20H18F3N3O3S and molecular weight 437.10 g/mol. IUPAC: N-(2-methoxyphenyl)-3-methyl-4-oxo-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazinane-6-carboxamide.
Chemical Property Profile of ChemDiv1_003009
Property Insights of ChemDiv1_003009
The XLogP value of 4.3041 indicates that ChemDiv1_003009 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.0 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_003009. Following Lipinski's Rule of Five, ChemDiv1_003009 has 1 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 ChemDiv1_003009?
The CAS number of ChemDiv1_003009 is 333328-01-1.
What is the molecular formula of ChemDiv1_003009?
The molecular formula of ChemDiv1_003009 is C20H18F3N3O3S.
What is the molecular weight of ChemDiv1_003009?
The molecular weight of ChemDiv1_003009 is 437.10 g/mol.
Where can I buy ChemDiv1_003009?
You can request a quote for ChemDiv1_003009 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_003009?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_003009 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.