Allylcoumarin
TL;DR: Allylcoumarin (CAS 73444-32-3) is a chemical compound with molecular formula C12H10O2 and molecular weight 186.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-prop-2-enylchromen-2-one
Also Known As: allylcoumarin, 3-prop-2-enylchromen-2-one, 3-Allyl-2H-1-benzopyran-2-one, 3-(prop-2-en-1-yl)-2H-chromen-2-one, 2H-1-Benzopyran-2-one, 3-(2-propen-1-yl)-
| Molecular Formula | C12H10O2 |
|---|---|
| Molecular Weight | 186.07 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 186.06808 |
| Heavy Atoms | 14 |
| Complexity | 278.0 |
Chemical Identifiers
| CAS Number | 73444-32-3 |
|---|---|
| SMILES | C=CCC1=CC2=CC=CC=C2OC1=O |
| InChIKey | WYUCGWOOEAMHHQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Allylcoumarin (CAS 73444-32-3), with molecular formula C12H10O2 and molecular weight 186.07 g/mol. IUPAC: 3-prop-2-enylchromen-2-one.
Chemical Property Profile of Allylcoumarin
Property Insights of Allylcoumarin
The XLogP value of 3.0 indicates that Allylcoumarin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Allylcoumarin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Allylcoumarin has 0 hydrogen bond donor(s) and 2 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 Allylcoumarin?
The CAS number of Allylcoumarin is 73444-32-3.
What is the molecular formula of Allylcoumarin?
The molecular formula of Allylcoumarin is C12H10O2.
What is the molecular weight of Allylcoumarin?
The molecular weight of Allylcoumarin is 186.07 g/mol.
Where can I buy Allylcoumarin?
You can request a quote for Allylcoumarin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Allylcoumarin?
Yes, KEHONG BIO provides custom synthesis services for Allylcoumarin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.