Octadec-9-enyl 4-decylbenzenesulfonate
TL;DR: Octadec-9-enyl 4-decylbenzenesulfonate (CAS 56401-66-2) is a chemical compound with molecular formula C34H60O3S and molecular weight 548.43 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
octadec-9-enyl 4-decylbenzenesulfonate
Also Known As: Oleyl p-decylbenzenefulfonate, Oleyl 4-decylbenzenesulfonate, Oleyl-p-(n-decyl)benzenesulfonate, octadec-9-enyl 4-decylbenzenesulfonate, Benzenesulfonic acid,4-decyl-, 9-octadecenyl ester, (Z)- (9CI)
| Molecular Formula | C34H60O3S |
|---|---|
| Molecular Weight | 548.43 g/mol |
| LogP | 14.2 |
| Topological Polar Surface Area | 51.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 27 |
| Exact Mass | 548.42633 |
| Heavy Atoms | 38 |
| Complexity | 614.0 |
Chemical Identifiers
| CAS Number | 56401-66-2 |
|---|---|
| SMILES | CCCCCCCCCCC1=CC=C(C=C1)S(=O)(=O)OCCCCCCCCC=CCCCCCCCC |
| InChIKey | CAVFEJQLGZAYSA-UHFFFAOYSA-N |
Product Overview
Octadec-9-enyl 4-decylbenzenesulfonate (CAS 56401-66-2), with molecular formula C34H60O3S and molecular weight 548.43 g/mol. IUPAC: octadec-9-enyl 4-decylbenzenesulfonate.
Chemical Property Profile of Octadec-9-enyl 4-decylbenzenesulfonate
Property Insights of Octadec-9-enyl 4-decylbenzenesulfonate
The XLogP value of 14.2 indicates that Octadec-9-enyl 4-decylbenzenesulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.8 Ų, Octadec-9-enyl 4-decylbenzenesulfonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Octadec-9-enyl 4-decylbenzenesulfonate 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 Octadec-9-enyl 4-decylbenzenesulfonate?
The CAS number of Octadec-9-enyl 4-decylbenzenesulfonate is 56401-66-2.
What is the molecular formula of Octadec-9-enyl 4-decylbenzenesulfonate?
The molecular formula of Octadec-9-enyl 4-decylbenzenesulfonate is C34H60O3S.
What is the molecular weight of Octadec-9-enyl 4-decylbenzenesulfonate?
The molecular weight of Octadec-9-enyl 4-decylbenzenesulfonate is 548.43 g/mol.
Where can I buy Octadec-9-enyl 4-decylbenzenesulfonate?
You can request a quote for Octadec-9-enyl 4-decylbenzenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Octadec-9-enyl 4-decylbenzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for Octadec-9-enyl 4-decylbenzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.