11-Benzylsulfanylundecanoic acid
TL;DR: 11-Benzylsulfanylundecanoic acid (CAS 7153-02-8) is a chemical compound with molecular formula C18H28O2S and molecular weight 308.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
11-benzylsulfanylundecanoic acid
Also Known As: 11-benzylsulfanylundecanoic acid, 11-(benzylsulfanyl)undecanoic acid, Undecanoic acid,11-[(phenylmethyl)thio]-
| Molecular Formula | C18H28O2S |
|---|---|
| Molecular Weight | 308.18 g/mol |
| LogP | 5.6 |
| Topological Polar Surface Area | 62.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 13 |
| Exact Mass | 308.181 |
| Heavy Atoms | 21 |
| Complexity | 250.0 |
Chemical Identifiers
| CAS Number | 7153-02-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)CSCCCCCCCCCCC(=O)O |
| InChIKey | SVCWRQUTOZJFFP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
11-Benzylsulfanylundecanoic acid (CAS 7153-02-8), with molecular formula C18H28O2S and molecular weight 308.18 g/mol. IUPAC: 11-benzylsulfanylundecanoic acid.
Chemical Property Profile of 11-Benzylsulfanylundecanoic acid
Property Insights of 11-Benzylsulfanylundecanoic acid
The XLogP value of 5.6 indicates that 11-Benzylsulfanylundecanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 11-Benzylsulfanylundecanoic acid. Following Lipinski's Rule of Five, 11-Benzylsulfanylundecanoic acid has 1 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 11-Benzylsulfanylundecanoic acid?
The CAS number of 11-Benzylsulfanylundecanoic acid is 7153-02-8.
What is the molecular formula of 11-Benzylsulfanylundecanoic acid?
The molecular formula of 11-Benzylsulfanylundecanoic acid is C18H28O2S.
What is the molecular weight of 11-Benzylsulfanylundecanoic acid?
The molecular weight of 11-Benzylsulfanylundecanoic acid is 308.18 g/mol.
Where can I buy 11-Benzylsulfanylundecanoic acid?
You can request a quote for 11-Benzylsulfanylundecanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 11-Benzylsulfanylundecanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 11-Benzylsulfanylundecanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.