3-Benzyl-2-(4-fluorophenyl)imino-4-oxo-1,3-thiazinane-6-carboxylic acid
TL;DR: 3-Benzyl-2-(4-fluorophenyl)imino-4-oxo-1,3-thiazinane-6-carboxylic acid (CAS 313380-76-6) is a chemical compound with molecular formula C18H15FN2O3S and molecular weight 358.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzyl-2-(4-fluorophenyl)imino-4-oxo-1,3-thiazinane-6-carboxylic acid
Also Known As: TimTec1_005647, 3-benzyl-2-(4-fluorophenyl)imino-4-oxo-1,3-thiazinane-6-carboxylic acid, 3-benzyl-2-[(4-fluorophenyl)imino]-4-oxo-1,3-thiazinane-6-carboxylic acid, A2108/0088609, (2Z)-3-benzyl-2-[(4-fluorophenyl)imino]-4-oxo-1,3-thiazinane-6-carboxylic acid
| Molecular Formula | C18H15FN2O3S |
|---|---|
| Molecular Weight | 358.08 g/mol |
| LogP | 3.4321 |
| Topological Polar Surface Area | 69.97 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 358.07874 |
| Heavy Atoms | 25 |
| Complexity | 808.8307 |
Chemical Identifiers
| CAS Number | 313380-76-6 |
|---|---|
| SMILES | C1C(SC(=NC2=CC=C(C=C2)F)N(C1=O)CC3=CC=CC=C3)C(=O)O |
Product Overview
3-Benzyl-2-(4-fluorophenyl)imino-4-oxo-1,3-thiazinane-6-carboxylic acid (CAS 313380-76-6), with molecular formula C18H15FN2O3S and molecular weight 358.08 g/mol. IUPAC: 3-benzyl-2-(4-fluorophenyl)imino-4-oxo-1,3-thiazinane-6-carboxylic acid.
Chemical Property Profile of 3-Benzyl-2-(4-fluorophenyl)imino-4-oxo-1,3-thiazinane-6-carboxylic acid
Property Insights of 3-Benzyl-2-(4-fluorophenyl)imino-4-oxo-1,3-thiazinane-6-carboxylic acid
The XLogP value of 3.4321 indicates that 3-Benzyl-2-(4-fluorophenyl)imino-4-oxo-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 3-Benzyl-2-(4-fluorophenyl)imino-4-oxo-1,3-thiazinane-6-carboxylic acid. Following Lipinski's Rule of Five, 3-Benzyl-2-(4-fluorophenyl)imino-4-oxo-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 3-Benzyl-2-(4-fluorophenyl)imino-4-oxo-1,3-thiazinane-6-carboxylic acid?
The CAS number of 3-Benzyl-2-(4-fluorophenyl)imino-4-oxo-1,3-thiazinane-6-carboxylic acid is 313380-76-6.
What is the molecular formula of 3-Benzyl-2-(4-fluorophenyl)imino-4-oxo-1,3-thiazinane-6-carboxylic acid?
The molecular formula of 3-Benzyl-2-(4-fluorophenyl)imino-4-oxo-1,3-thiazinane-6-carboxylic acid is C18H15FN2O3S.
What is the molecular weight of 3-Benzyl-2-(4-fluorophenyl)imino-4-oxo-1,3-thiazinane-6-carboxylic acid?
The molecular weight of 3-Benzyl-2-(4-fluorophenyl)imino-4-oxo-1,3-thiazinane-6-carboxylic acid is 358.08 g/mol.
Where can I buy 3-Benzyl-2-(4-fluorophenyl)imino-4-oxo-1,3-thiazinane-6-carboxylic acid?
You can request a quote for 3-Benzyl-2-(4-fluorophenyl)imino-4-oxo-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 3-Benzyl-2-(4-fluorophenyl)imino-4-oxo-1,3-thiazinane-6-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Benzyl-2-(4-fluorophenyl)imino-4-oxo-1,3-thiazinane-6-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.