A2236/0094138
TL;DR: A2236/0094138 (CAS 302566-49-0) is a chemical compound with molecular formula C20H17F3N2O4S and molecular weight 438.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-oxo-3-(2-phenylethyl)-2-[4-(trifluoromethoxy)phenyl]imino-1,3-thiazinane-6-carboxylic acid
Also Known As: A2236/0094138, 4-oxo-3-phenethyl-2-[4-(trifluoromethoxy)phenyl]imino-1,3-thiazinane-6-carboxylic acid, (2E)-4-OXO-3-(2-PHENYLETHYL)-2-{[4-(TRIFLUOROMETHOXY)PHENYL]IMINO}-1,3-THIAZINANE-6-CARBOXYLIC ACID, (2Z)-4-oxo-3-(2-phenylethyl)-2-{[4-(trifluoromethoxy)phenyl]imino}-1,3-thiazinane-6-carboxylic acid, (Z)-4-oxo-3-phenethyl-2-((4-(trifluoromethoxy)phenyl)imino)-1,3-thiazinane-6-carboxylic acid
| Molecular Formula | C20H17F3N2O4S |
|---|---|
| Molecular Weight | 438.09 g/mol |
| LogP | 4.2341 |
| Topological Polar Surface Area | 79.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 438.08612 |
| Heavy Atoms | 30 |
| Complexity | 933.3178 |
Chemical Identifiers
| CAS Number | 302566-49-0 |
|---|---|
| SMILES | C1C(SC(=NC2=CC=C(C=C2)OC(F)(F)F)N(C1=O)CCC3=CC=CC=C3)C(=O)O |
Product Overview
A2236/0094138 (CAS 302566-49-0), with molecular formula C20H17F3N2O4S and molecular weight 438.09 g/mol. IUPAC: 4-oxo-3-(2-phenylethyl)-2-[4-(trifluoromethoxy)phenyl]imino-1,3-thiazinane-6-carboxylic acid.
Chemical Property Profile of A2236/0094138
Property Insights of A2236/0094138
The XLogP value of 4.2341 indicates that A2236/0094138 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.2 Ų falls within the moderate polarity range, balancing permeability and solubility for A2236/0094138. Following Lipinski's Rule of Five, A2236/0094138 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 A2236/0094138?
The CAS number of A2236/0094138 is 302566-49-0.
What is the molecular formula of A2236/0094138?
The molecular formula of A2236/0094138 is C20H17F3N2O4S.
What is the molecular weight of A2236/0094138?
The molecular weight of A2236/0094138 is 438.09 g/mol.
Where can I buy A2236/0094138?
You can request a quote for A2236/0094138 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A2236/0094138?
Yes, KEHONG BIO provides custom synthesis services for A2236/0094138 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.