RefChem:92006
TL;DR: RefChem:92006 (CAS 68310-82-7) is a chemical compound with molecular formula C23H18O7S2 and molecular weight 470.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[5-hydroxy-2-(4-hydroxyphenyl)sulfonylphenyl]methyl]naphthalene-2-sulfonic acid
Also Known As: 2-Naphthalenesulfonic acid, 3-[[5-hydroxy-2-[(4-hydroxyphenyl)sulfonyl]phenyl]methyl]-, 2-Naphthalenesulfonic acid, 3-((5-hydroxy-2-((4-hydroxyphenyl)sulfonyl)phenyl)methyl)-, 3-((5-Hydroxy-2-((4-hydroxyphenyl)sulfonyl)phenyl)methyl)-2-naphthalenesulfonic acid, 3-{5-hydroxy-2-[(4-hydroxyphenyl)sulfonyl]benzyl}naphthalene-2-sulfonic acid, 3-((5-Hydroxy-2-((4-hydroxyphenyl)sulphonyl)phenyl)methyl)naphthalene-2-sulphonic acid
| Molecular Formula | C23H18O7S2 |
|---|---|
| Molecular Weight | 470.05 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 146.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 470.0494 |
| Heavy Atoms | 32 |
| Complexity | 837.0 |
Chemical Identifiers
| CAS Number | 68310-82-7 |
|---|---|
| SMILES | C1=CC=C2C=C(C(=CC2=C1)CC3=C(C=CC(=C3)O)S(=O)(=O)C4=CC=C(C=C4)O)S(=O)(=O)O |
| InChIKey | ZFPWKZMBHSQTMV-UHFFFAOYSA-N |
Product Overview
RefChem:92006 (CAS 68310-82-7), with molecular formula C23H18O7S2 and molecular weight 470.05 g/mol. IUPAC: 3-[[5-hydroxy-2-(4-hydroxyphenyl)sulfonylphenyl]methyl]naphthalene-2-sulfonic acid.
Chemical Property Profile of RefChem:92006
Property Insights of RefChem:92006
The XLogP value of 3.9 indicates that RefChem:92006 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 146.0 Ų indicates high polarity, suggesting RefChem:92006 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:92006 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 RefChem:92006?
The CAS number of RefChem:92006 is 68310-82-7.
What is the molecular formula of RefChem:92006?
The molecular formula of RefChem:92006 is C23H18O7S2.
What is the molecular weight of RefChem:92006?
The molecular weight of RefChem:92006 is 470.05 g/mol.
Where can I buy RefChem:92006?
You can request a quote for RefChem:92006 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:92006?
Yes, KEHONG BIO provides custom synthesis services for RefChem:92006 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.