Obliquin
TL;DR: Obliquin (CAS 16167-05-8) is a chemical compound with molecular formula C14H12O4 and molecular weight 244.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-prop-1-en-2-yl-2,3-dihydropyrano[2,3-g][1,4]benzodioxin-7-one
Also Known As: OBLIQUIN, Spectrum2_000348, Spectrum3_000100, Spectrum4_001382, Spectrum5_000084
| Molecular Formula | C14H12O4 |
|---|---|
| Molecular Weight | 244.07 g/mol |
| LogP | 2.5089 |
| Topological Polar Surface Area | 48.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 244.07356 |
| Heavy Atoms | 18 |
| Complexity | 683.7437 |
Chemical Identifiers
| CAS Number | 16167-05-8 |
|---|---|
| SMILES | CC(=C)[C@H]1COC2=C(O1)C=C3C=CC(=O)OC3=C2 |
Product Overview
Obliquin (CAS 16167-05-8), with molecular formula C14H12O4 and molecular weight 244.07 g/mol. IUPAC: (2S)-2-prop-1-en-2-yl-2,3-dihydropyrano[2,3-g][1,4]benzodioxin-7-one.
Chemical Property Profile of Obliquin
Property Insights of Obliquin
The XLogP value of 2.5089 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Obliquin. With a topological polar surface area (TPSA) of 48.67 Ų, Obliquin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Obliquin has 0 hydrogen bond donor(s) and 4 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 Obliquin?
The CAS number of Obliquin is 16167-05-8.
What is the molecular formula of Obliquin?
The molecular formula of Obliquin is C14H12O4.
What is the molecular weight of Obliquin?
The molecular weight of Obliquin is 244.07 g/mol.
Where can I buy Obliquin?
You can request a quote for Obliquin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Obliquin?
Yes, KEHONG BIO provides custom synthesis services for Obliquin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.