![(2Z)-3-(4-chlorobenzyl)-2-{[4-(ethoxycarbonyl)phenyl]imino}-4-oxo-1,3-thiazinane-6-carboxylic acid structure](/static/products/361/361995-39-3.png)
(2Z)-3-(4-chlorobenzyl)-2-{[4-(ethoxycarbonyl)phenyl]imino}-4-oxo-1,3-thiazinane-6-carboxylic acid
TL;DR: (2Z)-3-(4-chlorobenzyl)-2-{[4-(ethoxycarbonyl)phenyl]imino}-4-oxo-1,3-thiazinane-6-carboxylic acid (CAS 361995-39-3) is a chemical compound with molecular formula C21H19ClN2O5S and molecular weight 446.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-chlorophenyl)methyl]-2-(4-ethoxycarbonylphenyl)imino-4-oxo-1,3-thiazinane-6-carboxylic acid
Also Known As: (2Z)-3-(4-chlorobenzyl)-2-{[4-(ethoxycarbonyl)phenyl]imino}-4-oxo-1,3-thiazinane-6-carboxylic acid, (Z)-3-(4-chlorobenzyl)-2-((4-(ethoxycarbonyl)phenyl)imino)-4-oxo-1,3-thiazinane-6-carboxylic acid, 3-[(4-chlorophenyl)methyl]-2-(4-ethoxycarbonylphenyl)imino-4-oxo-1,3-thiazinane-6-carboxylic Acid
| Molecular Formula | C21H19ClN2O5S |
|---|---|
| Molecular Weight | 446.07 g/mol |
| LogP | 4.1231 |
| Topological Polar Surface Area | 96.27 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 446.0703 |
| Heavy Atoms | 30 |
| Complexity | 975.8962 |
Chemical Identifiers
| CAS Number | 361995-39-3 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)N=C2N(C(=O)CC(S2)C(=O)O)CC3=CC=C(C=C3)Cl |
Product Overview
(2Z)-3-(4-chlorobenzyl)-2-{[4-(ethoxycarbonyl)phenyl]imino}-4-oxo-1,3-thiazinane-6-carboxylic acid (CAS 361995-39-3), with molecular formula C21H19ClN2O5S and molecular weight 446.07 g/mol. IUPAC: 3-[(4-chlorophenyl)methyl]-2-(4-ethoxycarbonylphenyl)imino-4-oxo-1,3-thiazinane-6-carboxylic acid.
Chemical Property Profile of (2Z)-3-(4-chlorobenzyl)-2-{[4-(ethoxycarbonyl)phenyl]imino}-4-oxo-1,3-thiazinane-6-carboxylic acid
Property Insights of (2Z)-3-(4-chlorobenzyl)-2-{[4-(ethoxycarbonyl)phenyl]imino}-4-oxo-1,3-thiazinane-6-carboxylic acid
The XLogP value of 4.1231 indicates that (2Z)-3-(4-chlorobenzyl)-2-{[4-(ethoxycarbonyl)phenyl]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 96.27 Ų falls within the moderate polarity range, balancing permeability and solubility for (2Z)-3-(4-chlorobenzyl)-2-{[4-(ethoxycarbonyl)phenyl]imino}-4-oxo-1,3-thiazinane-6-carboxylic acid. Following Lipinski's Rule of Five, (2Z)-3-(4-chlorobenzyl)-2-{[4-(ethoxycarbonyl)phenyl]imino}-4-oxo-1,3-thiazinane-6-carboxylic acid has 1 hydrogen bond donor(s) and 6 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 (2Z)-3-(4-chlorobenzyl)-2-{[4-(ethoxycarbonyl)phenyl]imino}-4-oxo-1,3-thiazinane-6-carboxylic acid?
The CAS number of (2Z)-3-(4-chlorobenzyl)-2-{[4-(ethoxycarbonyl)phenyl]imino}-4-oxo-1,3-thiazinane-6-carboxylic acid is 361995-39-3.
What is the molecular formula of (2Z)-3-(4-chlorobenzyl)-2-{[4-(ethoxycarbonyl)phenyl]imino}-4-oxo-1,3-thiazinane-6-carboxylic acid?
The molecular formula of (2Z)-3-(4-chlorobenzyl)-2-{[4-(ethoxycarbonyl)phenyl]imino}-4-oxo-1,3-thiazinane-6-carboxylic acid is C21H19ClN2O5S.
What is the molecular weight of (2Z)-3-(4-chlorobenzyl)-2-{[4-(ethoxycarbonyl)phenyl]imino}-4-oxo-1,3-thiazinane-6-carboxylic acid?
The molecular weight of (2Z)-3-(4-chlorobenzyl)-2-{[4-(ethoxycarbonyl)phenyl]imino}-4-oxo-1,3-thiazinane-6-carboxylic acid is 446.07 g/mol.
Where can I buy (2Z)-3-(4-chlorobenzyl)-2-{[4-(ethoxycarbonyl)phenyl]imino}-4-oxo-1,3-thiazinane-6-carboxylic acid?
You can request a quote for (2Z)-3-(4-chlorobenzyl)-2-{[4-(ethoxycarbonyl)phenyl]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 (2Z)-3-(4-chlorobenzyl)-2-{[4-(ethoxycarbonyl)phenyl]imino}-4-oxo-1,3-thiazinane-6-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for (2Z)-3-(4-chlorobenzyl)-2-{[4-(ethoxycarbonyl)phenyl]imino}-4-oxo-1,3-thiazinane-6-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.