![(Z)-4-(2-(benzo[d][1,3]dioxol-5-ylimino)-3-methyl-4-oxo-1,3-thiazinane-6-carboxamido)benzoic acid structure](/static/products/333/333327-76-7.png)
(Z)-4-(2-(benzo[d][1,3]dioxol-5-ylimino)-3-methyl-4-oxo-1,3-thiazinane-6-carboxamido)benzoic acid
TL;DR: (Z)-4-(2-(benzo[d][1,3]dioxol-5-ylimino)-3-methyl-4-oxo-1,3-thiazinane-6-carboxamido)benzoic acid (CAS 333327-76-7) is a chemical compound with molecular formula C20H17N3O6S and molecular weight 427.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[2-(1,3-benzodioxol-5-ylimino)-3-methyl-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoic acid
Also Known As: (Z)-4-(2-(benzo[d][1,3]dioxol-5-ylimino)-3-methyl-4-oxo-1,3-thiazinane-6-carboxamido)benzoic acid, 4-({[(2Z)-2-(1,3-benzodioxol-5-ylimino)-3-methyl-4-oxo-1,3-thiazinan-6-yl]carbonyl}amino)benzoic acid, 4-({[2-(1,3-benzodioxol-5-ylimino)-3-methyl-4-oxo-1,3-thiazinan-6-yl]carbonyl}amino)benzoic acid, 4-[[2-(1,3-benzodioxol-5-ylimino)-3-methyl-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoic acid
| Molecular Formula | C20H17N3O6S |
|---|---|
| Molecular Weight | 427.08 g/mol |
| LogP | 2.7036 |
| Topological Polar Surface Area | 117.53 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 427.0838 |
| Heavy Atoms | 30 |
| Complexity | 1053.0073 |
Chemical Identifiers
| CAS Number | 333327-76-7 |
|---|---|
| SMILES | CN1C(=O)CC(SC1=NC2=CC3=C(C=C2)OCO3)C(=O)NC4=CC=C(C=C4)C(=O)O |
Product Overview
(Z)-4-(2-(benzo[d][1,3]dioxol-5-ylimino)-3-methyl-4-oxo-1,3-thiazinane-6-carboxamido)benzoic acid (CAS 333327-76-7), with molecular formula C20H17N3O6S and molecular weight 427.08 g/mol. IUPAC: 4-[[2-(1,3-benzodioxol-5-ylimino)-3-methyl-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoic acid.
Chemical Property Profile of (Z)-4-(2-(benzo[d][1,3]dioxol-5-ylimino)-3-methyl-4-oxo-1,3-thiazinane-6-carboxamido)benzoic acid
Property Insights of (Z)-4-(2-(benzo[d][1,3]dioxol-5-ylimino)-3-methyl-4-oxo-1,3-thiazinane-6-carboxamido)benzoic acid
The XLogP value of 2.7036 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (Z)-4-(2-(benzo[d][1,3]dioxol-5-ylimino)-3-methyl-4-oxo-1,3-thiazinane-6-carboxamido)benzoic acid. The TPSA of 117.53 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-4-(2-(benzo[d][1,3]dioxol-5-ylimino)-3-methyl-4-oxo-1,3-thiazinane-6-carboxamido)benzoic acid. Following Lipinski's Rule of Five, (Z)-4-(2-(benzo[d][1,3]dioxol-5-ylimino)-3-methyl-4-oxo-1,3-thiazinane-6-carboxamido)benzoic acid has 2 hydrogen bond donor(s) and 7 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 (Z)-4-(2-(benzo[d][1,3]dioxol-5-ylimino)-3-methyl-4-oxo-1,3-thiazinane-6-carboxamido)benzoic acid?
The CAS number of (Z)-4-(2-(benzo[d][1,3]dioxol-5-ylimino)-3-methyl-4-oxo-1,3-thiazinane-6-carboxamido)benzoic acid is 333327-76-7.
What is the molecular formula of (Z)-4-(2-(benzo[d][1,3]dioxol-5-ylimino)-3-methyl-4-oxo-1,3-thiazinane-6-carboxamido)benzoic acid?
The molecular formula of (Z)-4-(2-(benzo[d][1,3]dioxol-5-ylimino)-3-methyl-4-oxo-1,3-thiazinane-6-carboxamido)benzoic acid is C20H17N3O6S.
What is the molecular weight of (Z)-4-(2-(benzo[d][1,3]dioxol-5-ylimino)-3-methyl-4-oxo-1,3-thiazinane-6-carboxamido)benzoic acid?
The molecular weight of (Z)-4-(2-(benzo[d][1,3]dioxol-5-ylimino)-3-methyl-4-oxo-1,3-thiazinane-6-carboxamido)benzoic acid is 427.08 g/mol.
Where can I buy (Z)-4-(2-(benzo[d][1,3]dioxol-5-ylimino)-3-methyl-4-oxo-1,3-thiazinane-6-carboxamido)benzoic acid?
You can request a quote for (Z)-4-(2-(benzo[d][1,3]dioxol-5-ylimino)-3-methyl-4-oxo-1,3-thiazinane-6-carboxamido)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Z)-4-(2-(benzo[d][1,3]dioxol-5-ylimino)-3-methyl-4-oxo-1,3-thiazinane-6-carboxamido)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for (Z)-4-(2-(benzo[d][1,3]dioxol-5-ylimino)-3-methyl-4-oxo-1,3-thiazinane-6-carboxamido)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.