1,3,6,8-Pyrenetetrasulfonic acid, calcium salt (1:2)
TL;DR: 1,3,6,8-Pyrenetetrasulfonic acid, calcium salt (1:2) (CAS 63468-96-2) is a chemical compound with molecular formula C16H6Ca2O12S4 and molecular weight 597.80 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dicalcium;pyrene-1,3,6,8-tetrasulfonate
Also Known As: Cid 6454621, 1,3,6,8-Pyrenetetrasulfonic acid, calcium salt (1:2), 1,3,6,8-Pyrenetetrasulfonic acid dicalcium salt, dicalcium pyrene-1,3,6,8-tetrasulfonate, RefChem:72365
| Molecular Formula | C16H6Ca2O12S4 |
|---|---|
| Molecular Weight | 597.80 g/mol |
| LogP | -0.5612 |
| Topological Polar Surface Area | 228.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 4 |
| Exact Mass | 597.7994 |
| Heavy Atoms | 34 |
| Complexity | 1640.2379 |
Chemical Identifiers
| CAS Number | 63468-96-2 |
|---|---|
| SMILES | C1=CC2=C3C(=C(C=C2S(=O)(=O)[O-])S(=O)(=O)[O-])C=CC4=C(C=C(C1=C43)S(=O)(=O)[O-])S(=O)(=O)[O-].[Ca+2].[Ca+2] |
Product Overview
1,3,6,8-Pyrenetetrasulfonic acid, calcium salt (1:2) (CAS 63468-96-2), with molecular formula C16H6Ca2O12S4 and molecular weight 597.80 g/mol. IUPAC: dicalcium;pyrene-1,3,6,8-tetrasulfonate.
Chemical Property Profile of 1,3,6,8-Pyrenetetrasulfonic acid, calcium salt (1:2)
Property Insights of 1,3,6,8-Pyrenetetrasulfonic acid, calcium salt (1:2)
The XLogP value of -0.5612 indicates that 1,3,6,8-Pyrenetetrasulfonic acid, calcium salt (1:2) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 228.8 Ų indicates high polarity, suggesting 1,3,6,8-Pyrenetetrasulfonic acid, calcium salt (1:2) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1,3,6,8-Pyrenetetrasulfonic acid, calcium salt (1:2) has 0 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,3,6,8-Pyrenetetrasulfonic acid, calcium salt (1:2)?
The CAS number of 1,3,6,8-Pyrenetetrasulfonic acid, calcium salt (1:2) is 63468-96-2.
What is the molecular formula of 1,3,6,8-Pyrenetetrasulfonic acid, calcium salt (1:2)?
The molecular formula of 1,3,6,8-Pyrenetetrasulfonic acid, calcium salt (1:2) is C16H6Ca2O12S4.
What is the molecular weight of 1,3,6,8-Pyrenetetrasulfonic acid, calcium salt (1:2)?
The molecular weight of 1,3,6,8-Pyrenetetrasulfonic acid, calcium salt (1:2) is 597.80 g/mol.
Where can I buy 1,3,6,8-Pyrenetetrasulfonic acid, calcium salt (1:2)?
You can request a quote for 1,3,6,8-Pyrenetetrasulfonic acid, calcium salt (1:2) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3,6,8-Pyrenetetrasulfonic acid, calcium salt (1:2)?
Yes, KEHONG BIO provides custom synthesis services for 1,3,6,8-Pyrenetetrasulfonic acid, calcium salt (1:2) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.