![4-({[(2Z)-2-[(3,5-dichlorophenyl)imino]-4-oxo-3-(2-phenylethyl)-1,3-thiazinan-6-yl]carbonyl}amino)benzoic acid structure](/static/products/442/442554-97-4.png)
4-({[(2Z)-2-[(3,5-dichlorophenyl)imino]-4-oxo-3-(2-phenylethyl)-1,3-thiazinan-6-yl]carbonyl}amino)benzoic acid
TL;DR: 4-({[(2Z)-2-[(3,5-dichlorophenyl)imino]-4-oxo-3-(2-phenylethyl)-1,3-thiazinan-6-yl]carbonyl}amino)benzoic acid (CAS 442554-97-4) is a chemical compound with molecular formula C26H21Cl2N3O4S and molecular weight 541.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[2-(3,5-dichlorophenyl)imino-4-oxo-3-(2-phenylethyl)-1,3-thiazinane-6-carbonyl]amino]benzoic acid
Also Known As: 4-({[(2Z)-2-[(3,5-dichlorophenyl)imino]-4-oxo-3-(2-phenylethyl)-1,3-thiazinan-6-yl]carbonyl}amino)benzoic acid, 4-[[2-(3,5-dichlorophenyl)imino-4-oxo-3-phenethyl-1,3-thiazinane-6-carbonyl]amino]benzoic Acid, (Z)-4-(2-((3,5-dichlorophenyl)imino)-4-oxo-3-phenethyl-1,3-thiazinane-6-carboxamido)benzoic acid, 4-[(2Z)-2-[(3,5-DICHLOROPHENYL)IMINO]-4-OXO-3-(2-PHENYLETHYL)-1,3-THIAZINANE-6-AMIDO]BENZOIC ACID
| Molecular Formula | C26H21Cl2N3O4S |
|---|---|
| Molecular Weight | 541.06 g/mol |
| LogP | 5.8946 |
| Topological Polar Surface Area | 99.07 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 541.063 |
| Heavy Atoms | 36 |
| Complexity | 1296.2744 |
Chemical Identifiers
| CAS Number | 442554-97-4 |
|---|---|
| SMILES | C1C(SC(=NC2=CC(=CC(=C2)Cl)Cl)N(C1=O)CCC3=CC=CC=C3)C(=O)NC4=CC=C(C=C4)C(=O)O |
Product Overview
4-({[(2Z)-2-[(3,5-dichlorophenyl)imino]-4-oxo-3-(2-phenylethyl)-1,3-thiazinan-6-yl]carbonyl}amino)benzoic acid (CAS 442554-97-4), with molecular formula C26H21Cl2N3O4S and molecular weight 541.06 g/mol. IUPAC: 4-[[2-(3,5-dichlorophenyl)imino-4-oxo-3-(2-phenylethyl)-1,3-thiazinane-6-carbonyl]amino]benzoic acid.
Chemical Property Profile of 4-({[(2Z)-2-[(3,5-dichlorophenyl)imino]-4-oxo-3-(2-phenylethyl)-1,3-thiazinan-6-yl]carbonyl}amino)benzoic acid
Property Insights of 4-({[(2Z)-2-[(3,5-dichlorophenyl)imino]-4-oxo-3-(2-phenylethyl)-1,3-thiazinan-6-yl]carbonyl}amino)benzoic acid
The XLogP value of 5.8946 indicates that 4-({[(2Z)-2-[(3,5-dichlorophenyl)imino]-4-oxo-3-(2-phenylethyl)-1,3-thiazinan-6-yl]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 4-({[(2Z)-2-[(3,5-dichlorophenyl)imino]-4-oxo-3-(2-phenylethyl)-1,3-thiazinan-6-yl]carbonyl}amino)benzoic acid. Following Lipinski's Rule of Five, 4-({[(2Z)-2-[(3,5-dichlorophenyl)imino]-4-oxo-3-(2-phenylethyl)-1,3-thiazinan-6-yl]carbonyl}amino)benzoic acid has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-({[(2Z)-2-[(3,5-dichlorophenyl)imino]-4-oxo-3-(2-phenylethyl)-1,3-thiazinan-6-yl]carbonyl}amino)benzoic acid?
The CAS number of 4-({[(2Z)-2-[(3,5-dichlorophenyl)imino]-4-oxo-3-(2-phenylethyl)-1,3-thiazinan-6-yl]carbonyl}amino)benzoic acid is 442554-97-4.
What is the molecular formula of 4-({[(2Z)-2-[(3,5-dichlorophenyl)imino]-4-oxo-3-(2-phenylethyl)-1,3-thiazinan-6-yl]carbonyl}amino)benzoic acid?
The molecular formula of 4-({[(2Z)-2-[(3,5-dichlorophenyl)imino]-4-oxo-3-(2-phenylethyl)-1,3-thiazinan-6-yl]carbonyl}amino)benzoic acid is C26H21Cl2N3O4S.
What is the molecular weight of 4-({[(2Z)-2-[(3,5-dichlorophenyl)imino]-4-oxo-3-(2-phenylethyl)-1,3-thiazinan-6-yl]carbonyl}amino)benzoic acid?
The molecular weight of 4-({[(2Z)-2-[(3,5-dichlorophenyl)imino]-4-oxo-3-(2-phenylethyl)-1,3-thiazinan-6-yl]carbonyl}amino)benzoic acid is 541.06 g/mol.
Where can I buy 4-({[(2Z)-2-[(3,5-dichlorophenyl)imino]-4-oxo-3-(2-phenylethyl)-1,3-thiazinan-6-yl]carbonyl}amino)benzoic acid?
You can request a quote for 4-({[(2Z)-2-[(3,5-dichlorophenyl)imino]-4-oxo-3-(2-phenylethyl)-1,3-thiazinan-6-yl]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 4-({[(2Z)-2-[(3,5-dichlorophenyl)imino]-4-oxo-3-(2-phenylethyl)-1,3-thiazinan-6-yl]carbonyl}amino)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-({[(2Z)-2-[(3,5-dichlorophenyl)imino]-4-oxo-3-(2-phenylethyl)-1,3-thiazinan-6-yl]carbonyl}amino)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.