RefChem:564330
TL;DR: RefChem:564330 (CAS 68189-24-2) is a chemical compound with molecular formula C34H24CaCl2N4O8S2 and molecular weight 790.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
calcium bis(3-chloro-5-[(2-hydroxynaphthalen-1-yl)diazenyl]-4-methylbenzenesulfonate)
Also Known As: C17H13ClN2O4S.1/2Ca, C17-H13-Cl-N2-O4-S.1/2Ca, calciumbis[2-chloro-6-[ azo]toluene-4-sulphonate], 5-Chloro-3-((2-hydroxy-1-naphthalenyl)azo)-4-methylbenzenesulfonic acid, calcium salt (2:1), Benzenesulfonic acid, 3-chloro-5-[(2-hydroxy-1-naphthalenyl)azo]-4-methyl-, calcium salt (2:1)
| Molecular Formula | C34H24CaCl2N4O8S2 |
|---|---|
| Molecular Weight | 790.00 g/mol |
| LogP | 9.27 |
| Topological Polar Surface Area | 221.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 4 |
| Exact Mass | 790.00385 |
| Heavy Atoms | 51 |
| Complexity | 581.0 |
Chemical Identifiers
| CAS Number | 68189-24-2 |
|---|---|
| SMILES | CC1=C(C=C(C=C1Cl)S(=O)(=O)[O-])N=NC2=C(C=CC3=CC=CC=C32)O.CC1=C(C=C(C=C1Cl)S(=O)(=O)[O-])N=NC2=C(C=CC3=CC=CC=C32)O.[Ca+2] |
| InChIKey | WXNCKGDQVKFDFH-UHFFFAOYSA-L |
Product Overview
RefChem:564330 (CAS 68189-24-2), with molecular formula C34H24CaCl2N4O8S2 and molecular weight 790.00 g/mol. IUPAC: calcium bis(3-chloro-5-[(2-hydroxynaphthalen-1-yl)diazenyl]-4-methylbenzenesulfonate).
Chemical Property Profile of RefChem:564330
Property Insights of RefChem:564330
The XLogP value of 9.27 indicates that RefChem:564330 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 221.0 Ų indicates high polarity, suggesting RefChem:564330 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:564330 has 2 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 RefChem:564330?
The CAS number of RefChem:564330 is 68189-24-2.
What is the molecular formula of RefChem:564330?
The molecular formula of RefChem:564330 is C34H24CaCl2N4O8S2.
What is the molecular weight of RefChem:564330?
The molecular weight of RefChem:564330 is 790.00 g/mol.
Where can I buy RefChem:564330?
You can request a quote for RefChem:564330 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:564330?
Yes, KEHONG BIO provides custom synthesis services for RefChem:564330 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.