Obtusaquinone
TL;DR: Obtusaquinone (CAS 62745-67-9) is a chemical compound with molecular formula C16H14O3 and molecular weight 254.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-2-hydroxy-5-methoxy-4-[(E)-3-phenylprop-2-enylidene]cyclohexa-2,5-dien-1-one
Also Known As: Obtusaquinone, SPECTRUM200090, ERK5-4N16, OBTUSAQUINONE JURD 2066, SDCCGMLS-0066386.P001
| Molecular Formula | C16H14O3 |
|---|---|
| Molecular Weight | 254.09 g/mol |
| LogP | 3.1811 |
| Topological Polar Surface Area | 46.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 254.0943 |
| Heavy Atoms | 19 |
| Complexity | 589.6799 |
Chemical Identifiers
| CAS Number | 62745-67-9 |
|---|---|
| SMILES | COC\1=CC(=O)C(=C/C1=C\C=C\C2=CC=CC=C2)O |
Product Overview
Obtusaquinone (CAS 62745-67-9), with molecular formula C16H14O3 and molecular weight 254.09 g/mol. IUPAC: (4E)-2-hydroxy-5-methoxy-4-[(E)-3-phenylprop-2-enylidene]cyclohexa-2,5-dien-1-one.
Chemical Property Profile of Obtusaquinone
Property Insights of Obtusaquinone
The XLogP value of 3.1811 indicates that Obtusaquinone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.53 Ų, Obtusaquinone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Obtusaquinone has 1 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 Obtusaquinone?
The CAS number of Obtusaquinone is 62745-67-9.
What is the molecular formula of Obtusaquinone?
The molecular formula of Obtusaquinone is C16H14O3.
What is the molecular weight of Obtusaquinone?
The molecular weight of Obtusaquinone is 254.09 g/mol.
Where can I buy Obtusaquinone?
You can request a quote for Obtusaquinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Obtusaquinone?
Yes, KEHONG BIO provides custom synthesis services for Obtusaquinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.