2-(Cyclohexylimino)-3-(2-methoxyphenyl)-4-oxo-5-thiazolidineacetic acid
TL;DR: 2-(Cyclohexylimino)-3-(2-methoxyphenyl)-4-oxo-5-thiazolidineacetic acid (CAS 52697-80-0) is a chemical compound with molecular formula C18H22N2O4S and molecular weight 362.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-cyclohexylimino-3-(2-methoxyphenyl)-4-oxo-1,3-thiazolidin-5-yl]acetic acid
Also Known As: KST-1A5366, 2-(Cyclohexylimino)-3-(2-methoxyphenyl)-4-oxo-5-thiazolidineacetic acid, [(2z)-2-(cyclohexylimino)-3-(2-methoxyphenyl)-4-oxo-1,3-thiazolidin-5-yl]acetic acid, 5-Thiazolidineacetic acid, 2-(cyclohexylimino)-3-(2-methoxyphenyl)-4-oxo-, 2-[2-cyclohexylimino-3-(2-methoxyphenyl)-4-oxo-1,3-thiazolidin-5-yl]acetic acid
| Molecular Formula | C18H22N2O4S |
|---|---|
| Molecular Weight | 362.13 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 105.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 362.13004 |
| Heavy Atoms | 25 |
| Complexity | 533.0 |
Chemical Identifiers
| CAS Number | 52697-80-0 |
|---|---|
| SMILES | COC1=CC=CC=C1N2C(=O)C(SC2=NC3CCCCC3)CC(=O)O |
| InChIKey | VJRJCEAYBXFYOM-UHFFFAOYSA-N |
Product Overview
2-(Cyclohexylimino)-3-(2-methoxyphenyl)-4-oxo-5-thiazolidineacetic acid (CAS 52697-80-0), with molecular formula C18H22N2O4S and molecular weight 362.13 g/mol. IUPAC: 2-[2-cyclohexylimino-3-(2-methoxyphenyl)-4-oxo-1,3-thiazolidin-5-yl]acetic acid.
Chemical Property Profile of 2-(Cyclohexylimino)-3-(2-methoxyphenyl)-4-oxo-5-thiazolidineacetic acid
Property Insights of 2-(Cyclohexylimino)-3-(2-methoxyphenyl)-4-oxo-5-thiazolidineacetic acid
The XLogP value of 3.2 indicates that 2-(Cyclohexylimino)-3-(2-methoxyphenyl)-4-oxo-5-thiazolidineacetic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Cyclohexylimino)-3-(2-methoxyphenyl)-4-oxo-5-thiazolidineacetic acid. Following Lipinski's Rule of Five, 2-(Cyclohexylimino)-3-(2-methoxyphenyl)-4-oxo-5-thiazolidineacetic 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 2-(Cyclohexylimino)-3-(2-methoxyphenyl)-4-oxo-5-thiazolidineacetic acid?
The CAS number of 2-(Cyclohexylimino)-3-(2-methoxyphenyl)-4-oxo-5-thiazolidineacetic acid is 52697-80-0.
What is the molecular formula of 2-(Cyclohexylimino)-3-(2-methoxyphenyl)-4-oxo-5-thiazolidineacetic acid?
The molecular formula of 2-(Cyclohexylimino)-3-(2-methoxyphenyl)-4-oxo-5-thiazolidineacetic acid is C18H22N2O4S.
What is the molecular weight of 2-(Cyclohexylimino)-3-(2-methoxyphenyl)-4-oxo-5-thiazolidineacetic acid?
The molecular weight of 2-(Cyclohexylimino)-3-(2-methoxyphenyl)-4-oxo-5-thiazolidineacetic acid is 362.13 g/mol.
Where can I buy 2-(Cyclohexylimino)-3-(2-methoxyphenyl)-4-oxo-5-thiazolidineacetic acid?
You can request a quote for 2-(Cyclohexylimino)-3-(2-methoxyphenyl)-4-oxo-5-thiazolidineacetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Cyclohexylimino)-3-(2-methoxyphenyl)-4-oxo-5-thiazolidineacetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(Cyclohexylimino)-3-(2-methoxyphenyl)-4-oxo-5-thiazolidineacetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.