IPA 3
TL;DR: IPA 3 (CAS 1081767-20-5) is a chemical compound with molecular formula C20H14O2S2 and molecular weight 350.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(2-hydroxynaphthalen-1-yl)disulfanyl]naphthalen-2-ol
Also Known As: IPA 3, 1,1'-Dithiodi-2-naphthol, Bis(2-hydroxy-1-naphthyl) disulfide, IPA3, 2-Naphthol, 1,1'-dithiodi-
| Molecular Formula | C20H14O2S2 |
|---|---|
| Molecular Weight | 350.04 g/mol |
| LogP | 5.8 |
| Topological Polar Surface Area | 91.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 350.04352 |
| Heavy Atoms | 24 |
| Complexity | 380.0 |
Chemical Identifiers
| CAS Number | 1081767-20-5 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=CC(=C2SSC3=C(C=CC4=CC=CC=C43)O)O |
| InChIKey | RFAXLXKIAKIUDT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
IPA 3 (CAS 1081767-20-5), with molecular formula C20H14O2S2 and molecular weight 350.04 g/mol. IUPAC: 1-[(2-hydroxynaphthalen-1-yl)disulfanyl]naphthalen-2-ol.
Chemical Property Profile of IPA 3
Property Insights of IPA 3
The XLogP value of 5.8 indicates that IPA 3 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.1 Ų falls within the moderate polarity range, balancing permeability and solubility for IPA 3. Following Lipinski's Rule of Five, IPA 3 has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of IPA 3?
The CAS number of IPA 3 is 1081767-20-5.
What is the molecular formula of IPA 3?
The molecular formula of IPA 3 is C20H14O2S2.
What is the molecular weight of IPA 3?
The molecular weight of IPA 3 is 350.04 g/mol.
Where can I buy IPA 3?
You can request a quote for IPA 3 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IPA 3?
Yes, KEHONG BIO provides custom synthesis services for IPA 3 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.