Paracotoin
TL;DR: Paracotoin (CAS 91-89-4) is a chemical compound with molecular formula C12H8O4 and molecular weight 216.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(1,3-benzodioxol-5-yl)pyran-2-one
Also Known As: Paracotoin, 6- -2H-pyran-2-one, 6-(1,3-benzodioxol-5-yl)pyran-2-one, 6-(1,3-benzodioxol-5-yl)-2h-pyran-2-one, 6-(3,4-(Methylenedioxy)phenyl)-2H-pyran-2-one
| Molecular Formula | C12H8O4 |
|---|---|
| Molecular Weight | 216.04 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 216.04225 |
| Heavy Atoms | 16 |
| Complexity | 358.0 |
Chemical Identifiers
| CAS Number | 91-89-4 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)C3=CC=CC(=O)O3 |
| InChIKey | FTGVBKACGWMZPN-UHFFFAOYSA-N |
Product Overview
Paracotoin (CAS 91-89-4), with molecular formula C12H8O4 and molecular weight 216.04 g/mol. IUPAC: 6-(1,3-benzodioxol-5-yl)pyran-2-one.
Chemical Property Profile of Paracotoin
Property Insights of Paracotoin
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Paracotoin. With a topological polar surface area (TPSA) of 44.8 Ų, Paracotoin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Paracotoin 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 Paracotoin?
The CAS number of Paracotoin is 91-89-4.
What is the molecular formula of Paracotoin?
The molecular formula of Paracotoin is C12H8O4.
What is the molecular weight of Paracotoin?
The molecular weight of Paracotoin is 216.04 g/mol.
Where can I buy Paracotoin?
You can request a quote for Paracotoin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Paracotoin?
Yes, KEHONG BIO provides custom synthesis services for Paracotoin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.