Calcium di(naphthalene-2-sulphonate)
TL;DR: Calcium di(naphthalene-2-sulphonate) (CAS 42781-68-0) is a chemical compound with molecular formula C20H14CaO6S2 and molecular weight 453.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
calcium bis(naphthalene-2-sulfonate)
Also Known As: calciumdi, Calcium di(naphthalene-2-sulphonate), EINECS 255-939-0, calcium naphthalene-2-sulfonate, calcium,naphthalene-2-sulfonate
| Molecular Formula | C20H14CaO6S2 |
|---|---|
| Molecular Weight | 453.99 g/mol |
| LogP | 3.107 |
| Topological Polar Surface Area | 114.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 453.98578 |
| Heavy Atoms | 29 |
| Complexity | 1258.9089 |
Chemical Identifiers
| CAS Number | 42781-68-0 |
|---|---|
| SMILES | C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)[O-].C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)[O-].[Ca+2] |
Product Overview
Calcium di(naphthalene-2-sulphonate) (CAS 42781-68-0), with molecular formula C20H14CaO6S2 and molecular weight 453.99 g/mol. IUPAC: calcium bis(naphthalene-2-sulfonate).
Chemical Property Profile of Calcium di(naphthalene-2-sulphonate)
Property Insights of Calcium di(naphthalene-2-sulphonate)
The XLogP value of 3.107 indicates that Calcium di(naphthalene-2-sulphonate) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 114.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Calcium di(naphthalene-2-sulphonate). Following Lipinski's Rule of Five, Calcium di(naphthalene-2-sulphonate) has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Calcium di(naphthalene-2-sulphonate)?
The CAS number of Calcium di(naphthalene-2-sulphonate) is 42781-68-0.
What is the molecular formula of Calcium di(naphthalene-2-sulphonate)?
The molecular formula of Calcium di(naphthalene-2-sulphonate) is C20H14CaO6S2.
What is the molecular weight of Calcium di(naphthalene-2-sulphonate)?
The molecular weight of Calcium di(naphthalene-2-sulphonate) is 453.99 g/mol.
Where can I buy Calcium di(naphthalene-2-sulphonate)?
You can request a quote for Calcium di(naphthalene-2-sulphonate) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Calcium di(naphthalene-2-sulphonate)?
Yes, KEHONG BIO provides custom synthesis services for Calcium di(naphthalene-2-sulphonate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.