Benzoic acid, 4-(hexyloxy)-, 4-(methylthio)phenyl ester
TL;DR: Benzoic acid, 4-(hexyloxy)-, 4-(methylthio)phenyl ester (CAS 89407-51-2) is a chemical compound with molecular formula C20H24O3S and molecular weight 344.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-methylsulfanylphenyl) 4-hexoxybenzoate
Also Known As: 4-methylthio-2-ethoxy-benzoic acid, (4-methylsulfanylphenyl) 4-hexoxybenzoate, 4-(methylthio)phenyl 4-(hexyloxy)benzoate, Benzoic acid, 4-(hexyloxy)-, 4-(methylthio)phenyl ester, 4-(METHYLSULFANYL)PHENYL 4-(HEXYLOXY)BENZOATE
| Molecular Formula | C20H24O3S |
|---|---|
| Molecular Weight | 344.14 g/mol |
| LogP | 5.5868 |
| Topological Polar Surface Area | 35.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 344.14462 |
| Heavy Atoms | 24 |
| Complexity | 620.33716 |
Chemical Identifiers
| CAS Number | 89407-51-2 |
|---|---|
| SMILES | CCCCCCOC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)SC |
Product Overview
Benzoic acid, 4-(hexyloxy)-, 4-(methylthio)phenyl ester (CAS 89407-51-2), with molecular formula C20H24O3S and molecular weight 344.14 g/mol. IUPAC: (4-methylsulfanylphenyl) 4-hexoxybenzoate.
Chemical Property Profile of Benzoic acid, 4-(hexyloxy)-, 4-(methylthio)phenyl ester
Property Insights of Benzoic acid, 4-(hexyloxy)-, 4-(methylthio)phenyl ester
The XLogP value of 5.5868 indicates that Benzoic acid, 4-(hexyloxy)-, 4-(methylthio)phenyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.53 Ų, Benzoic acid, 4-(hexyloxy)-, 4-(methylthio)phenyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, 4-(hexyloxy)-, 4-(methylthio)phenyl ester has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzoic acid, 4-(hexyloxy)-, 4-(methylthio)phenyl ester?
The CAS number of Benzoic acid, 4-(hexyloxy)-, 4-(methylthio)phenyl ester is 89407-51-2.
What is the molecular formula of Benzoic acid, 4-(hexyloxy)-, 4-(methylthio)phenyl ester?
The molecular formula of Benzoic acid, 4-(hexyloxy)-, 4-(methylthio)phenyl ester is C20H24O3S.
What is the molecular weight of Benzoic acid, 4-(hexyloxy)-, 4-(methylthio)phenyl ester?
The molecular weight of Benzoic acid, 4-(hexyloxy)-, 4-(methylthio)phenyl ester is 344.14 g/mol.
Where can I buy Benzoic acid, 4-(hexyloxy)-, 4-(methylthio)phenyl ester?
You can request a quote for Benzoic acid, 4-(hexyloxy)-, 4-(methylthio)phenyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 4-(hexyloxy)-, 4-(methylthio)phenyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 4-(hexyloxy)-, 4-(methylthio)phenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.