2-((2-((5-Methyl-2-(propan-2-yl)cyclohexyl)oxy)-2-oxoethyl)sulfanyl)benzoic acid
TL;DR: 2-((2-((5-Methyl-2-(propan-2-yl)cyclohexyl)oxy)-2-oxoethyl)sulfanyl)benzoic acid (CAS 1005159-83-0) is a chemical compound with molecular formula C19H26O4S and molecular weight 350.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-2-oxoethyl]sulfanylbenzoic acid
Also Known As: 2-[(2-{[5-methyl-2-(propan-2-yl)cyclohexyl]oxy}-2-oxoethyl)sulfanyl]benzoic acid, 2-(2-Isopropyl-5-methyl-cyclohexyloxycarbonylmethylsulfanyl)-benzoic acid, 2-[2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-2-oxoethyl]sulfanylbenzoic acid, 2-[2-(2-isopropyl-5-methyl-cyclohexoxy)-2-oxo-ethyl]sulfanylbenzoic acid, 2-((2-((5-Methyl-2-(propan-2-yl)cyclohexyl)oxy)-2-oxoethyl)sulfanyl)benzoic acid
| Molecular Formula | C19H26O4S |
|---|---|
| Molecular Weight | 350.16 g/mol |
| LogP | 4.4809 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 350.15518 |
| Heavy Atoms | 24 |
| Complexity | 584.48444 |
Chemical Identifiers
| CAS Number | 1005159-83-0 |
|---|---|
| SMILES | CC1CCC(C(C1)OC(=O)CSC2=CC=CC=C2C(=O)O)C(C)C |
Product Overview
2-((2-((5-Methyl-2-(propan-2-yl)cyclohexyl)oxy)-2-oxoethyl)sulfanyl)benzoic acid (CAS 1005159-83-0), with molecular formula C19H26O4S and molecular weight 350.16 g/mol. IUPAC: 2-[2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-2-oxoethyl]sulfanylbenzoic acid.
Chemical Property Profile of 2-((2-((5-Methyl-2-(propan-2-yl)cyclohexyl)oxy)-2-oxoethyl)sulfanyl)benzoic acid
Property Insights of 2-((2-((5-Methyl-2-(propan-2-yl)cyclohexyl)oxy)-2-oxoethyl)sulfanyl)benzoic acid
The XLogP value of 4.4809 indicates that 2-((2-((5-Methyl-2-(propan-2-yl)cyclohexyl)oxy)-2-oxoethyl)sulfanyl)benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((2-((5-Methyl-2-(propan-2-yl)cyclohexyl)oxy)-2-oxoethyl)sulfanyl)benzoic acid. Following Lipinski's Rule of Five, 2-((2-((5-Methyl-2-(propan-2-yl)cyclohexyl)oxy)-2-oxoethyl)sulfanyl)benzoic acid has 1 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-((5-Methyl-2-(propan-2-yl)cyclohexyl)oxy)-2-oxoethyl)sulfanyl)benzoic acid?
The CAS number of 2-((2-((5-Methyl-2-(propan-2-yl)cyclohexyl)oxy)-2-oxoethyl)sulfanyl)benzoic acid is 1005159-83-0.
What is the molecular formula of 2-((2-((5-Methyl-2-(propan-2-yl)cyclohexyl)oxy)-2-oxoethyl)sulfanyl)benzoic acid?
The molecular formula of 2-((2-((5-Methyl-2-(propan-2-yl)cyclohexyl)oxy)-2-oxoethyl)sulfanyl)benzoic acid is C19H26O4S.
What is the molecular weight of 2-((2-((5-Methyl-2-(propan-2-yl)cyclohexyl)oxy)-2-oxoethyl)sulfanyl)benzoic acid?
The molecular weight of 2-((2-((5-Methyl-2-(propan-2-yl)cyclohexyl)oxy)-2-oxoethyl)sulfanyl)benzoic acid is 350.16 g/mol.
Where can I buy 2-((2-((5-Methyl-2-(propan-2-yl)cyclohexyl)oxy)-2-oxoethyl)sulfanyl)benzoic acid?
You can request a quote for 2-((2-((5-Methyl-2-(propan-2-yl)cyclohexyl)oxy)-2-oxoethyl)sulfanyl)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-((5-Methyl-2-(propan-2-yl)cyclohexyl)oxy)-2-oxoethyl)sulfanyl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-((2-((5-Methyl-2-(propan-2-yl)cyclohexyl)oxy)-2-oxoethyl)sulfanyl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.