DIOA
TL;DR: DIOA (CAS 106105-17-3) is a chemical compound with molecular formula C20H24Cl2O4 and molecular weight 398.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
DIOA
2-[(2-butyl-6,7-dichloro-2-cyclopentyl-1-oxo-3H-inden-5-yl)oxy]acetic acid
Also Known As: Dioa, Dioa-acid, R(+)-Butylindazone, dihydroindenyl-oxyalkanoic acid, R-(+)-DIOA
| Molecular Formula | C20H24Cl2O4 |
|---|---|
| Molecular Weight | 398.11 g/mol |
| LogP | 6.5 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 398.10516 |
| Heavy Atoms | 26 |
| Complexity | 534.0 |
Chemical Identifiers
| CAS Number | 106105-17-3 |
|---|---|
| SMILES | CCCCC1(CC2=CC(=C(C(=C2C1=O)Cl)Cl)OCC(=O)O)C3CCCC3 |
| InChIKey | YAWWQIFONIPBKT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
DIOA (CAS 106105-17-3), with molecular formula C20H24Cl2O4 and molecular weight 398.11 g/mol. IUPAC: 2-[(2-butyl-6,7-dichloro-2-cyclopentyl-1-oxo-3H-inden-5-yl)oxy]acetic acid.
Chemical Property Profile of DIOA
Property Insights of DIOA
The XLogP value of 6.5 indicates that DIOA is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for DIOA. Following Lipinski's Rule of Five, DIOA has 1 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 DIOA?
The CAS number of DIOA is 106105-17-3.
What is the molecular formula of DIOA?
The molecular formula of DIOA is C20H24Cl2O4.
What is the molecular weight of DIOA?
The molecular weight of DIOA is 398.11 g/mol.
Where can I buy DIOA?
You can request a quote for DIOA directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for DIOA?
Yes, KEHONG BIO provides custom synthesis services for DIOA and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.