Hydrindantin dihydrate
TL;DR: Hydrindantin dihydrate (CAS 5950-69-6) is a chemical compound with molecular formula C18H14O8 and molecular weight 358.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3,3-trihydroxy-2-(1,1,2-trihydroxy-3-oxoinden-2-yl)inden-1-one
Also Known As: Hydrindantin dihydrate, Hydrindantin, anhydrous, Propionitrile-d5, Hydrindantin hydrate, Hydrindantindihydrate
| Molecular Formula | C18H14O8 |
|---|---|
| Molecular Weight | 358.07 g/mol |
| LogP | -2.1 |
| Topological Polar Surface Area | 156.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 1 |
| Exact Mass | 358.06888 |
| Heavy Atoms | 26 |
| Complexity | 602.0 |
Chemical Identifiers
| CAS Number | 5950-69-6 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)C(C2(O)O)(C3(C(=O)C4=CC=CC=C4C3(O)O)O)O |
| InChIKey | QHVADKNWNMILPQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Hydrindantin dihydrate (CAS 5950-69-6), with molecular formula C18H14O8 and molecular weight 358.07 g/mol. IUPAC: 2,3,3-trihydroxy-2-(1,1,2-trihydroxy-3-oxoinden-2-yl)inden-1-one.
Chemical Property Profile of Hydrindantin dihydrate
Property Insights of Hydrindantin dihydrate
The XLogP value of -2.1 indicates that Hydrindantin dihydrate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 156.0 Ų indicates high polarity, suggesting Hydrindantin dihydrate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Hydrindantin dihydrate has 6 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Hydrindantin dihydrate?
The CAS number of Hydrindantin dihydrate is 5950-69-6.
What is the molecular formula of Hydrindantin dihydrate?
The molecular formula of Hydrindantin dihydrate is C18H14O8.
What is the molecular weight of Hydrindantin dihydrate?
The molecular weight of Hydrindantin dihydrate is 358.07 g/mol.
Where can I buy Hydrindantin dihydrate?
You can request a quote for Hydrindantin dihydrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hydrindantin dihydrate?
Yes, KEHONG BIO provides custom synthesis services for Hydrindantin dihydrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.