Disodium alpha,alpha'-dihydroxy-beta,beta'-dioxo-4,4'-biphenyldiethanesulfonate
TL;DR: Disodium alpha,alpha'-dihydroxy-beta,beta'-dioxo-4,4'-biphenyldiethanesulfonate (CAS 30662-91-0) is a chemical compound with molecular formula C16H12Na2O10S2 and molecular weight 473.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
disodium;1-hydroxy-2-[4-[4-(2-hydroxy-2-sulfonatoacetyl)phenyl]phenyl]-2-oxoethanesulfonate
Also Known As: NIOSH/KI7349000, 4,4'-Biphenyldiglyoxal disodium bisulfite, 4,4'-Biphenyldiglyoxal disodium bisulphite, 4,4'-Biphenyldiglyoxylaldehyde, compd. with disodium bisulfite, Disodium alpha,alpha'-dihydroxy-beta,beta'-dioxo-4,4'-biphenyldiethanesulfonate
| Molecular Formula | C16H12Na2O10S2 |
|---|---|
| Molecular Weight | 473.97 g/mol |
| LogP | -6.5458 |
| Topological Polar Surface Area | 206.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 5 |
| Exact Mass | 473.96674 |
| Heavy Atoms | 30 |
| Complexity | 682.0 |
Chemical Identifiers
| CAS Number | 30662-91-0 |
|---|---|
| SMILES | C1=CC(=CC=C1C2=CC=C(C=C2)C(=O)C(O)S(=O)(=O)[O-])C(=O)C(O)S(=O)(=O)[O-].[Na+].[Na+] |
| InChIKey | QUKRUARISYJGLA-UHFFFAOYSA-L |
Product Overview
Disodium alpha,alpha'-dihydroxy-beta,beta'-dioxo-4,4'-biphenyldiethanesulfonate (CAS 30662-91-0), with molecular formula C16H12Na2O10S2 and molecular weight 473.97 g/mol. IUPAC: disodium;1-hydroxy-2-[4-[4-(2-hydroxy-2-sulfonatoacetyl)phenyl]phenyl]-2-oxoethanesulfonate.
Chemical Property Profile of Disodium alpha,alpha'-dihydroxy-beta,beta'-dioxo-4,4'-biphenyldiethanesulfonate
Property Insights of Disodium alpha,alpha'-dihydroxy-beta,beta'-dioxo-4,4'-biphenyldiethanesulfonate
The XLogP value of -6.5458 indicates that Disodium alpha,alpha'-dihydroxy-beta,beta'-dioxo-4,4'-biphenyldiethanesulfonate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 206.0 Ų indicates high polarity, suggesting Disodium alpha,alpha'-dihydroxy-beta,beta'-dioxo-4,4'-biphenyldiethanesulfonate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Disodium alpha,alpha'-dihydroxy-beta,beta'-dioxo-4,4'-biphenyldiethanesulfonate has 2 hydrogen bond donor(s) and 10 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 Disodium alpha,alpha'-dihydroxy-beta,beta'-dioxo-4,4'-biphenyldiethanesulfonate?
The CAS number of Disodium alpha,alpha'-dihydroxy-beta,beta'-dioxo-4,4'-biphenyldiethanesulfonate is 30662-91-0.
What is the molecular formula of Disodium alpha,alpha'-dihydroxy-beta,beta'-dioxo-4,4'-biphenyldiethanesulfonate?
The molecular formula of Disodium alpha,alpha'-dihydroxy-beta,beta'-dioxo-4,4'-biphenyldiethanesulfonate is C16H12Na2O10S2.
What is the molecular weight of Disodium alpha,alpha'-dihydroxy-beta,beta'-dioxo-4,4'-biphenyldiethanesulfonate?
The molecular weight of Disodium alpha,alpha'-dihydroxy-beta,beta'-dioxo-4,4'-biphenyldiethanesulfonate is 473.97 g/mol.
Where can I buy Disodium alpha,alpha'-dihydroxy-beta,beta'-dioxo-4,4'-biphenyldiethanesulfonate?
You can request a quote for Disodium alpha,alpha'-dihydroxy-beta,beta'-dioxo-4,4'-biphenyldiethanesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Disodium alpha,alpha'-dihydroxy-beta,beta'-dioxo-4,4'-biphenyldiethanesulfonate?
Yes, KEHONG BIO provides custom synthesis services for Disodium alpha,alpha'-dihydroxy-beta,beta'-dioxo-4,4'-biphenyldiethanesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.