Ethyl 2-octadecylsulfanylbenzoate
TL;DR: Ethyl 2-octadecylsulfanylbenzoate (CAS 74010-84-7) is a chemical compound with molecular formula C27H46O2S and molecular weight 434.32 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-octadecylsulfanylbenzoate
Also Known As: Ethyl 2-octadecylsulfanylbenzoate, ETHYL 2-(OCTADECYLTHIO)BENZOATE, ETHYL 2-(OCTADECYLSULFANYL)BENZOATE, Benzoic acid,2-(octadecylthio)-, ethyl ester, ETHYL 2-(OCTADECYLTHIO)BENZOATE, 99%
| Molecular Formula | C27H46O2S |
|---|---|
| Molecular Weight | 434.32 g/mol |
| LogP | 9.2169 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 20 |
| Exact Mass | 434.32184 |
| Heavy Atoms | 30 |
| Complexity | 529.3493 |
Chemical Identifiers
| CAS Number | 74010-84-7 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCCSC1=CC=CC=C1C(=O)OCC |
Product Overview
Ethyl 2-octadecylsulfanylbenzoate (CAS 74010-84-7), with molecular formula C27H46O2S and molecular weight 434.32 g/mol. IUPAC: ethyl 2-octadecylsulfanylbenzoate.
Chemical Property Profile of Ethyl 2-octadecylsulfanylbenzoate
Property Insights of Ethyl 2-octadecylsulfanylbenzoate
The XLogP value of 9.2169 indicates that Ethyl 2-octadecylsulfanylbenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Ethyl 2-octadecylsulfanylbenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-octadecylsulfanylbenzoate has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ethyl 2-octadecylsulfanylbenzoate?
The CAS number of Ethyl 2-octadecylsulfanylbenzoate is 74010-84-7.
What is the molecular formula of Ethyl 2-octadecylsulfanylbenzoate?
The molecular formula of Ethyl 2-octadecylsulfanylbenzoate is C27H46O2S.
What is the molecular weight of Ethyl 2-octadecylsulfanylbenzoate?
The molecular weight of Ethyl 2-octadecylsulfanylbenzoate is 434.32 g/mol.
Where can I buy Ethyl 2-octadecylsulfanylbenzoate?
You can request a quote for Ethyl 2-octadecylsulfanylbenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-octadecylsulfanylbenzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-octadecylsulfanylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.