![2-{[2-(Cyclohexylamino)-2-oxoethyl]thio}benzoic acid structure](/static/products/3853/385382-80-9.webp)
2-{[2-(Cyclohexylamino)-2-oxoethyl]thio}benzoic acid
TL;DR: 2-{[2-(Cyclohexylamino)-2-oxoethyl]thio}benzoic acid (CAS 385382-80-9) is a chemical compound with molecular formula C15H19NO3S and molecular weight 293.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(cyclohexylamino)-2-oxoethyl]sulfanylbenzoic acid
Also Known As: 2-{[2-(Cyclohexylamino)-2-oxoethyl]thio}benzoic acid, ZERO/006005, 2-{[(cyclohexylcarbamoyl)methyl]sulfanyl}benzoic acid, 2-([2-(Cyclohexylamino)-2-oxoethyl]thio)benzoic acid, 2-Cyclohexylcarbamoylmethylsulfanylbenzoic acid
| Molecular Formula | C15H19NO3S |
|---|---|
| Molecular Weight | 293.11 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 91.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 293.10855 |
| Heavy Atoms | 20 |
| Complexity | 342.0 |
Chemical Identifiers
| CAS Number | 385382-80-9 |
|---|---|
| SMILES | C1CCC(CC1)NC(=O)CSC2=CC=CC=C2C(=O)O |
| InChIKey | RBEKVRXCSVGTIQ-UHFFFAOYSA-N |
Product Overview
2-{[2-(Cyclohexylamino)-2-oxoethyl]thio}benzoic acid (CAS 385382-80-9), with molecular formula C15H19NO3S and molecular weight 293.11 g/mol. IUPAC: 2-[2-(cyclohexylamino)-2-oxoethyl]sulfanylbenzoic acid.
Chemical Property Profile of 2-{[2-(Cyclohexylamino)-2-oxoethyl]thio}benzoic acid
Property Insights of 2-{[2-(Cyclohexylamino)-2-oxoethyl]thio}benzoic acid
The XLogP value of 3.1 indicates that 2-{[2-(Cyclohexylamino)-2-oxoethyl]thio}benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{[2-(Cyclohexylamino)-2-oxoethyl]thio}benzoic acid. Following Lipinski's Rule of Five, 2-{[2-(Cyclohexylamino)-2-oxoethyl]thio}benzoic acid has 2 hydrogen bond donor(s) and 4 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-(Cyclohexylamino)-2-oxoethyl]thio}benzoic acid?
The CAS number of 2-{[2-(Cyclohexylamino)-2-oxoethyl]thio}benzoic acid is 385382-80-9.
What is the molecular formula of 2-{[2-(Cyclohexylamino)-2-oxoethyl]thio}benzoic acid?
The molecular formula of 2-{[2-(Cyclohexylamino)-2-oxoethyl]thio}benzoic acid is C15H19NO3S.
What is the molecular weight of 2-{[2-(Cyclohexylamino)-2-oxoethyl]thio}benzoic acid?
The molecular weight of 2-{[2-(Cyclohexylamino)-2-oxoethyl]thio}benzoic acid is 293.11 g/mol.
Where can I buy 2-{[2-(Cyclohexylamino)-2-oxoethyl]thio}benzoic acid?
You can request a quote for 2-{[2-(Cyclohexylamino)-2-oxoethyl]thio}benzoic 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-(Cyclohexylamino)-2-oxoethyl]thio}benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-{[2-(Cyclohexylamino)-2-oxoethyl]thio}benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.