4-Oxo-3-phenethyl-2-phenylimino-1,3-thiazinane-6-carboxylic acid
TL;DR: 4-Oxo-3-phenethyl-2-phenylimino-1,3-thiazinane-6-carboxylic acid (CAS 313380-73-3) is a chemical compound with molecular formula C19H18N2O3S and molecular weight 354.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-oxo-3-(2-phenylethyl)-2-phenylimino-1,3-thiazinane-6-carboxylic acid
Also Known As: AJ-292/13607001, 4-oxo-3-phenethyl-2-phenylimino-1,3-thiazinane-6-carboxylic acid, 4-oxo-3-(2-phenylethyl)-2-phenylimino-1,3-thiazinane-6-carboxylic acid, (2Z)-4-oxo-3-(2-phenylethyl)-2-(phenylimino)-1,3-thiazinane-6-carboxylic acid, (Z)-4-oxo-3-phenethyl-2-(phenylimino)-1,3-thiazinane-6-carboxylic acid
| Molecular Formula | C19H18N2O3S |
|---|---|
| Molecular Weight | 354.10 g/mol |
| LogP | 3.3355 |
| Topological Polar Surface Area | 69.97 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 354.10382 |
| Heavy Atoms | 25 |
| Complexity | 777.77094 |
Chemical Identifiers
| CAS Number | 313380-73-3 |
|---|---|
| SMILES | C1C(SC(=NC2=CC=CC=C2)N(C1=O)CCC3=CC=CC=C3)C(=O)O |
Product Overview
4-Oxo-3-phenethyl-2-phenylimino-1,3-thiazinane-6-carboxylic acid (CAS 313380-73-3), with molecular formula C19H18N2O3S and molecular weight 354.10 g/mol. IUPAC: 4-oxo-3-(2-phenylethyl)-2-phenylimino-1,3-thiazinane-6-carboxylic acid.
Chemical Property Profile of 4-Oxo-3-phenethyl-2-phenylimino-1,3-thiazinane-6-carboxylic acid
Property Insights of 4-Oxo-3-phenethyl-2-phenylimino-1,3-thiazinane-6-carboxylic acid
The XLogP value of 3.3355 indicates that 4-Oxo-3-phenethyl-2-phenylimino-1,3-thiazinane-6-carboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.97 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Oxo-3-phenethyl-2-phenylimino-1,3-thiazinane-6-carboxylic acid. Following Lipinski's Rule of Five, 4-Oxo-3-phenethyl-2-phenylimino-1,3-thiazinane-6-carboxylic acid 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 4-Oxo-3-phenethyl-2-phenylimino-1,3-thiazinane-6-carboxylic acid?
The CAS number of 4-Oxo-3-phenethyl-2-phenylimino-1,3-thiazinane-6-carboxylic acid is 313380-73-3.
What is the molecular formula of 4-Oxo-3-phenethyl-2-phenylimino-1,3-thiazinane-6-carboxylic acid?
The molecular formula of 4-Oxo-3-phenethyl-2-phenylimino-1,3-thiazinane-6-carboxylic acid is C19H18N2O3S.
What is the molecular weight of 4-Oxo-3-phenethyl-2-phenylimino-1,3-thiazinane-6-carboxylic acid?
The molecular weight of 4-Oxo-3-phenethyl-2-phenylimino-1,3-thiazinane-6-carboxylic acid is 354.10 g/mol.
Where can I buy 4-Oxo-3-phenethyl-2-phenylimino-1,3-thiazinane-6-carboxylic acid?
You can request a quote for 4-Oxo-3-phenethyl-2-phenylimino-1,3-thiazinane-6-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Oxo-3-phenethyl-2-phenylimino-1,3-thiazinane-6-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Oxo-3-phenethyl-2-phenylimino-1,3-thiazinane-6-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.