RefChem:564251
TL;DR: RefChem:564251 (CAS 68368-35-4) is a chemical compound with molecular formula C34H22BaCl4N4O8S2 and molecular weight 955.87 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
barium(2+);bis(3,6-dichloro-2-[(2-hydroxynaphthalen-1-yl)diazenyl]-4-methylbenzenesulfonate)
Also Known As: C17H12Cl2N2O4S.1/2Ba, C17-H12-Cl2-N2-O4-S.1/2Ba, bariumbis[2,5-dichloro-3-[ azo]toluene-4-sulphonate], Benzenesulfonic acid, 3,6-dichloro-2-[(2-hydroxy-1-naphthalenyl)azo]-4-methyl-, barium salt (2:1), BARIUM BIS[2,5-DICHLORO-3-[(2-HYDROXY-1-NAPHTHYL)AZO]TOLUENE-4-SULPHONATE]
| Molecular Formula | C34H22BaCl4N4O8S2 |
|---|---|
| Molecular Weight | 955.87 g/mol |
| LogP | 10.58 |
| Topological Polar Surface Area | 221.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 4 |
| Exact Mass | 957.8656 |
| Heavy Atoms | 53 |
| Complexity | 613.0 |
Chemical Identifiers
| CAS Number | 68368-35-4 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1Cl)N=NC2=C(C=CC3=CC=CC=C32)O)S(=O)(=O)[O-])Cl.CC1=CC(=C(C(=C1Cl)N=NC2=C(C=CC3=CC=CC=C32)O)S(=O)(=O)[O-])Cl.[Ba+2] |
| InChIKey | KEUUBWBHPXWNDR-UHFFFAOYSA-L |
Product Overview
RefChem:564251 (CAS 68368-35-4), with molecular formula C34H22BaCl4N4O8S2 and molecular weight 955.87 g/mol. IUPAC: barium(2+);bis(3,6-dichloro-2-[(2-hydroxynaphthalen-1-yl)diazenyl]-4-methylbenzenesulfonate).
Chemical Property Profile of RefChem:564251
Property Insights of RefChem:564251
The XLogP value of 10.58 indicates that RefChem:564251 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 221.0 Ų indicates high polarity, suggesting RefChem:564251 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:564251 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:564251?
The CAS number of RefChem:564251 is 68368-35-4.
What is the molecular formula of RefChem:564251?
The molecular formula of RefChem:564251 is C34H22BaCl4N4O8S2.
What is the molecular weight of RefChem:564251?
The molecular weight of RefChem:564251 is 955.87 g/mol.
Where can I buy RefChem:564251?
You can request a quote for RefChem:564251 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:564251?
Yes, KEHONG BIO provides custom synthesis services for RefChem:564251 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.