![[1-(4-Methyl-benzylsulfanyl)-cyclohexyl]-acetic acid structure](/static/products/872/87242-91-9.png)
[1-(4-Methyl-benzylsulfanyl)-cyclohexyl]-acetic acid
TL;DR: [1-(4-Methyl-benzylsulfanyl)-cyclohexyl]-acetic acid (CAS 87242-91-9) is a chemical compound with molecular formula C16H22O2S and molecular weight 278.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[1-[(4-methylphenyl)methylsulfanyl]cyclohexyl]acetic acid
Also Known As: S-4-Methylbenzyl-pmp, [1-(4-Methyl-benzylsulfanyl)-cyclohexyl]-acetic acid, Beta-(4-methylbenzylsulfanyl)-beta,beta-cyclopentamethylene-propionic acid, 6172AH, 2-[1-[(4-methylphenyl)methylsulfanyl]cyclohexyl]acetic Acid
| Molecular Formula | C16H22O2S |
|---|---|
| Molecular Weight | 278.13 g/mol |
| LogP | 4.40582 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 278.13406 |
| Heavy Atoms | 19 |
| Complexity | 418.88 |
Chemical Identifiers
| CAS Number | 87242-91-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)CSC2(CCCCC2)CC(=O)O |
Product Overview
[1-(4-Methyl-benzylsulfanyl)-cyclohexyl]-acetic acid (CAS 87242-91-9), with molecular formula C16H22O2S and molecular weight 278.13 g/mol. IUPAC: 2-[1-[(4-methylphenyl)methylsulfanyl]cyclohexyl]acetic acid.
Chemical Property Profile of [1-(4-Methyl-benzylsulfanyl)-cyclohexyl]-acetic acid
Property Insights of [1-(4-Methyl-benzylsulfanyl)-cyclohexyl]-acetic acid
The XLogP value of 4.40582 indicates that [1-(4-Methyl-benzylsulfanyl)-cyclohexyl]-acetic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, [1-(4-Methyl-benzylsulfanyl)-cyclohexyl]-acetic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, [1-(4-Methyl-benzylsulfanyl)-cyclohexyl]-acetic acid has 1 hydrogen bond donor(s) and 2 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 [1-(4-Methyl-benzylsulfanyl)-cyclohexyl]-acetic acid?
The CAS number of [1-(4-Methyl-benzylsulfanyl)-cyclohexyl]-acetic acid is 87242-91-9.
What is the molecular formula of [1-(4-Methyl-benzylsulfanyl)-cyclohexyl]-acetic acid?
The molecular formula of [1-(4-Methyl-benzylsulfanyl)-cyclohexyl]-acetic acid is C16H22O2S.
What is the molecular weight of [1-(4-Methyl-benzylsulfanyl)-cyclohexyl]-acetic acid?
The molecular weight of [1-(4-Methyl-benzylsulfanyl)-cyclohexyl]-acetic acid is 278.13 g/mol.
Where can I buy [1-(4-Methyl-benzylsulfanyl)-cyclohexyl]-acetic acid?
You can request a quote for [1-(4-Methyl-benzylsulfanyl)-cyclohexyl]-acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [1-(4-Methyl-benzylsulfanyl)-cyclohexyl]-acetic acid?
Yes, KEHONG BIO provides custom synthesis services for [1-(4-Methyl-benzylsulfanyl)-cyclohexyl]-acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.