2-(2-BENZOTHIAZOL-2-YLTHIO-5-NITROPHENYL)-5,5-DIMETHYL-1,3-THIAZOLIDINE-4-CARBOXYLIC ACID
TL;DR: 2-(2-BENZOTHIAZOL-2-YLTHIO-5-NITROPHENYL)-5,5-DIMETHYL-1,3-THIAZOLIDINE-4-CARBOXYLIC ACID (CAS 1037599-08-8) is a chemical compound with molecular formula C19H17N3O4S3 and molecular weight 447.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(1,3-benzothiazol-2-ylsulfanyl)-5-nitrophenyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
Also Known As: 2-(2-BENZOTHIAZOL-2-YLTHIO-5-NITROPHENYL)-5,5-DIMETHYL-1,3-THIAZOLIDINE-4-CARBOXYLIC ACID, 2-[2-(1,3-benzothiazol-2-ylsulfanyl)-5-nitrophenyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, 2-(2-benzothiazol-2-ylsulfanyl-5-nitro-phenyl)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic Acid, 2-[2-(1,3-benzothiazol-2-ylsulfanyl)-5-nitro-phenyl]-5,5-dimethyl-thiazolidine-4-carboxylic acid, C19H17N3O4S3
| Molecular Formula | C19H17N3O4S3 |
|---|---|
| Molecular Weight | 447.04 g/mol |
| LogP | 4.9225 |
| Topological Polar Surface Area | 105.36 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 447.03812 |
| Heavy Atoms | 29 |
| Complexity | 1082.0273 |
Chemical Identifiers
| CAS Number | 1037599-08-8 |
|---|---|
| SMILES | CC1(C(NC(S1)C2=C(C=CC(=C2)[N+](=O)[O-])SC3=NC4=CC=CC=C4S3)C(=O)O)C |
Product Overview
2-(2-BENZOTHIAZOL-2-YLTHIO-5-NITROPHENYL)-5,5-DIMETHYL-1,3-THIAZOLIDINE-4-CARBOXYLIC ACID (CAS 1037599-08-8), with molecular formula C19H17N3O4S3 and molecular weight 447.04 g/mol. IUPAC: 2-[2-(1,3-benzothiazol-2-ylsulfanyl)-5-nitrophenyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid.
Chemical Property Profile of 2-(2-BENZOTHIAZOL-2-YLTHIO-5-NITROPHENYL)-5,5-DIMETHYL-1,3-THIAZOLIDINE-4-CARBOXYLIC ACID
Property Insights of 2-(2-BENZOTHIAZOL-2-YLTHIO-5-NITROPHENYL)-5,5-DIMETHYL-1,3-THIAZOLIDINE-4-CARBOXYLIC ACID
The XLogP value of 4.9225 indicates that 2-(2-BENZOTHIAZOL-2-YLTHIO-5-NITROPHENYL)-5,5-DIMETHYL-1,3-THIAZOLIDINE-4-CARBOXYLIC ACID is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.36 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(2-BENZOTHIAZOL-2-YLTHIO-5-NITROPHENYL)-5,5-DIMETHYL-1,3-THIAZOLIDINE-4-CARBOXYLIC ACID. Following Lipinski's Rule of Five, 2-(2-BENZOTHIAZOL-2-YLTHIO-5-NITROPHENYL)-5,5-DIMETHYL-1,3-THIAZOLIDINE-4-CARBOXYLIC ACID has 2 hydrogen bond donor(s) and 8 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 2-(2-BENZOTHIAZOL-2-YLTHIO-5-NITROPHENYL)-5,5-DIMETHYL-1,3-THIAZOLIDINE-4-CARBOXYLIC ACID?
The CAS number of 2-(2-BENZOTHIAZOL-2-YLTHIO-5-NITROPHENYL)-5,5-DIMETHYL-1,3-THIAZOLIDINE-4-CARBOXYLIC ACID is 1037599-08-8.
What is the molecular formula of 2-(2-BENZOTHIAZOL-2-YLTHIO-5-NITROPHENYL)-5,5-DIMETHYL-1,3-THIAZOLIDINE-4-CARBOXYLIC ACID?
The molecular formula of 2-(2-BENZOTHIAZOL-2-YLTHIO-5-NITROPHENYL)-5,5-DIMETHYL-1,3-THIAZOLIDINE-4-CARBOXYLIC ACID is C19H17N3O4S3.
What is the molecular weight of 2-(2-BENZOTHIAZOL-2-YLTHIO-5-NITROPHENYL)-5,5-DIMETHYL-1,3-THIAZOLIDINE-4-CARBOXYLIC ACID?
The molecular weight of 2-(2-BENZOTHIAZOL-2-YLTHIO-5-NITROPHENYL)-5,5-DIMETHYL-1,3-THIAZOLIDINE-4-CARBOXYLIC ACID is 447.04 g/mol.
Where can I buy 2-(2-BENZOTHIAZOL-2-YLTHIO-5-NITROPHENYL)-5,5-DIMETHYL-1,3-THIAZOLIDINE-4-CARBOXYLIC ACID?
You can request a quote for 2-(2-BENZOTHIAZOL-2-YLTHIO-5-NITROPHENYL)-5,5-DIMETHYL-1,3-THIAZOLIDINE-4-CARBOXYLIC ACID directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2-BENZOTHIAZOL-2-YLTHIO-5-NITROPHENYL)-5,5-DIMETHYL-1,3-THIAZOLIDINE-4-CARBOXYLIC ACID?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-BENZOTHIAZOL-2-YLTHIO-5-NITROPHENYL)-5,5-DIMETHYL-1,3-THIAZOLIDINE-4-CARBOXYLIC ACID and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.