Onitin
TL;DR: Onitin (CAS 53823-02-2) is a chemical compound with molecular formula C15H20O3 and molecular weight 248.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-hydroxy-6-(2-hydroxyethyl)-2,2,5,7-tetramethyl-3H-inden-1-one
Also Known As: Onitin, 4-Pentyloxyphenylboronic acid, HY-N3136, 4-hydroxy-6-(2-hydroxyethyl)-2,2,5,7-tetramethyl-3H-inden-1-one, 4CN-1866
| Molecular Formula | C15H20O3 |
|---|---|
| Molecular Weight | 248.14 g/mol |
| LogP | 2.30884 |
| Topological Polar Surface Area | 57.53 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 248.14125 |
| Heavy Atoms | 18 |
| Complexity | 527.27563 |
Chemical Identifiers
| CAS Number | 53823-02-2 |
|---|---|
| SMILES | CC1=C(C(=C(C2=C1C(=O)C(C2)(C)C)O)C)CCO |
Product Overview
Onitin (CAS 53823-02-2), with molecular formula C15H20O3 and molecular weight 248.14 g/mol. IUPAC: 4-hydroxy-6-(2-hydroxyethyl)-2,2,5,7-tetramethyl-3H-inden-1-one.
Chemical Property Profile of Onitin
Property Insights of Onitin
The XLogP value of 2.30884 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Onitin. With a topological polar surface area (TPSA) of 57.53 Ų, Onitin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Onitin has 2 hydrogen bond donor(s) and 3 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 Onitin?
The CAS number of Onitin is 53823-02-2.
What is the molecular formula of Onitin?
The molecular formula of Onitin is C15H20O3.
What is the molecular weight of Onitin?
The molecular weight of Onitin is 248.14 g/mol.
Where can I buy Onitin?
You can request a quote for Onitin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Onitin?
Yes, KEHONG BIO provides custom synthesis services for Onitin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.