![3-[[2-(3,4-dichlorophenyl)imino-3-ethyl-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoic Acid structure](/static/products/469/469907-72-0.png)
3-[[2-(3,4-dichlorophenyl)imino-3-ethyl-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoic Acid
TL;DR: 3-[[2-(3,4-dichlorophenyl)imino-3-ethyl-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoic Acid (CAS 469907-72-0) is a chemical compound with molecular formula C20H17Cl2N3O4S and molecular weight 465.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[2-(3,4-dichlorophenyl)imino-3-ethyl-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoic acid
Also Known As: 3-[[2-(3,4-dichlorophenyl)imino-3-ethyl-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoic Acid, (Z)-3-(2-((3,4-dichlorophenyl)imino)-3-ethyl-4-oxo-1,3-thiazinane-6-carboxamido)benzoic acid, 3-[({(2Z)-2-[(3,4-dichlorophenyl)imino]-3-ethyl-4-oxo-1,3-thiazinan-6-yl}carbonyl)amino]benzoic acid
| Molecular Formula | C20H17Cl2N3O4S |
|---|---|
| Molecular Weight | 465.03 g/mol |
| LogP | 4.6718 |
| Topological Polar Surface Area | 99.07 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 465.03168 |
| Heavy Atoms | 30 |
| Complexity | 1044.4617 |
Chemical Identifiers
| CAS Number | 469907-72-0 |
|---|---|
| SMILES | CCN1C(=O)CC(SC1=NC2=CC(=C(C=C2)Cl)Cl)C(=O)NC3=CC=CC(=C3)C(=O)O |
Product Overview
3-[[2-(3,4-dichlorophenyl)imino-3-ethyl-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoic Acid (CAS 469907-72-0), with molecular formula C20H17Cl2N3O4S and molecular weight 465.03 g/mol. IUPAC: 3-[[2-(3,4-dichlorophenyl)imino-3-ethyl-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoic acid.
Chemical Property Profile of 3-[[2-(3,4-dichlorophenyl)imino-3-ethyl-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoic Acid
Property Insights of 3-[[2-(3,4-dichlorophenyl)imino-3-ethyl-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoic Acid
The XLogP value of 4.6718 indicates that 3-[[2-(3,4-dichlorophenyl)imino-3-ethyl-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoic Acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.07 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[[2-(3,4-dichlorophenyl)imino-3-ethyl-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoic Acid. Following Lipinski's Rule of Five, 3-[[2-(3,4-dichlorophenyl)imino-3-ethyl-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoic Acid has 2 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 3-[[2-(3,4-dichlorophenyl)imino-3-ethyl-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoic Acid?
The CAS number of 3-[[2-(3,4-dichlorophenyl)imino-3-ethyl-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoic Acid is 469907-72-0.
What is the molecular formula of 3-[[2-(3,4-dichlorophenyl)imino-3-ethyl-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoic Acid?
The molecular formula of 3-[[2-(3,4-dichlorophenyl)imino-3-ethyl-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoic Acid is C20H17Cl2N3O4S.
What is the molecular weight of 3-[[2-(3,4-dichlorophenyl)imino-3-ethyl-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoic Acid?
The molecular weight of 3-[[2-(3,4-dichlorophenyl)imino-3-ethyl-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoic Acid is 465.03 g/mol.
Where can I buy 3-[[2-(3,4-dichlorophenyl)imino-3-ethyl-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoic Acid?
You can request a quote for 3-[[2-(3,4-dichlorophenyl)imino-3-ethyl-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoic Acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[[2-(3,4-dichlorophenyl)imino-3-ethyl-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoic Acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[[2-(3,4-dichlorophenyl)imino-3-ethyl-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.