苯酚二磺酸
TL;DR: 苯酚二磺酸 (CAS 96-77-5) is a chemical compound with molecular formula C6H6O7S2 and molecular weight 253.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
苯酚二磺酸
4-hydroxybenzene-1,3-disulfonic acid
Also Known As: Phenoldisulfonic acid, 4-Hydroxy-1,3-benzenedisulfonic acid, Phenol-2,4-disulfonic acid, 4-hydroxybenzene-1,3-disulfonic acid, 1-Hydroxy-2,4-disulfobenzene
| Molecular Formula | C6H6O7S2 |
|---|---|
| Molecular Weight | 253.96 g/mol |
| LogP | -1.0 |
| Topological Polar Surface Area | 146.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 253.95549 |
| Heavy Atoms | 15 |
| Complexity | 411.0 |
Chemical Identifiers
| CAS Number | 96-77-5 |
|---|---|
| SMILES | C1=CC(=C(C=C1S(=O)(=O)O)S(=O)(=O)O)O |
| InChIKey | JXBUOZMYKQDZFY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
苯酚二磺酸 (CAS 96-77-5), with molecular formula C6H6O7S2 and molecular weight 253.96 g/mol. IUPAC: 4-hydroxybenzene-1,3-disulfonic acid.
Chemical Property Profile of 苯酚二磺酸
Property Insights of 苯酚二磺酸
The XLogP value of -1.0 indicates that 苯酚二磺酸 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 146.0 Ų indicates high polarity, suggesting 苯酚二磺酸 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 苯酚二磺酸 has 3 hydrogen bond donor(s) and 7 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 苯酚二磺酸?
The CAS number of 苯酚二磺酸 is 96-77-5.
What is the molecular formula of 苯酚二磺酸?
The molecular formula of 苯酚二磺酸 is C6H6O7S2.
What is the molecular weight of 苯酚二磺酸?
The molecular weight of 苯酚二磺酸 is 253.96 g/mol.
Where can I buy 苯酚二磺酸?
You can request a quote for 苯酚二磺酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 苯酚二磺酸?
Yes, KEHONG BIO provides custom synthesis services for 苯酚二磺酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.