Calcium octadecylbenzenesulphonate
TL;DR: Calcium octadecylbenzenesulphonate (CAS 36250-83-6) is a chemical compound with molecular formula C24H41CaO3S+ and molecular weight 449.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
calcium 2-octadecylbenzenesulfonate
Also Known As: Calcium octadecylbenzenesulphonate, EINECS 252-935-0, Calcium octadecylbenzenesulfonate, C24H42O3S.1/2Ca, calcium,octadecyl benzenesulfonate
| Molecular Formula | C24H41CaO3S+ |
|---|---|
| Molecular Weight | 449.24 g/mol |
| LogP | 7.0139 |
| Topological Polar Surface Area | 57.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 18 |
| Exact Mass | 449.24023 |
| Heavy Atoms | 29 |
| Complexity | 601.89825 |
Chemical Identifiers
| CAS Number | 36250-83-6 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCCC1=CC=CC=C1S(=O)(=O)[O-].[Ca+2] |
Product Overview
Calcium octadecylbenzenesulphonate (CAS 36250-83-6), with molecular formula C24H41CaO3S+ and molecular weight 449.24 g/mol. IUPAC: calcium 2-octadecylbenzenesulfonate.
Chemical Property Profile of Calcium octadecylbenzenesulphonate
Property Insights of Calcium octadecylbenzenesulphonate
The XLogP value of 7.0139 indicates that Calcium octadecylbenzenesulphonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.2 Ų, Calcium octadecylbenzenesulphonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Calcium octadecylbenzenesulphonate 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 Calcium octadecylbenzenesulphonate?
The CAS number of Calcium octadecylbenzenesulphonate is 36250-83-6.
What is the molecular formula of Calcium octadecylbenzenesulphonate?
The molecular formula of Calcium octadecylbenzenesulphonate is C24H41CaO3S+.
What is the molecular weight of Calcium octadecylbenzenesulphonate?
The molecular weight of Calcium octadecylbenzenesulphonate is 449.24 g/mol.
Where can I buy Calcium octadecylbenzenesulphonate?
You can request a quote for Calcium octadecylbenzenesulphonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Calcium octadecylbenzenesulphonate?
Yes, KEHONG BIO provides custom synthesis services for Calcium octadecylbenzenesulphonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.