8-allyl-7-methoxy-2H-chromen-2-one
TL;DR: 8-allyl-7-methoxy-2H-chromen-2-one (CAS 55136-74-8) is a chemical compound with molecular formula C13H12O3 and molecular weight 216.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-methoxy-8-prop-2-enylchromen-2-one
Also Known As: 8-allyl-7-methoxycoumarin, 7-Methoxy-8-allylcoumarin, 8-allyl-7-methoxy-2H-chromen-2-one, 7-methoxy-8-prop-2-enylchromen-2-one, 7-Methoxy-8-allyl-2H-1-benzopyran-2-one
| Molecular Formula | C13H12O3 |
|---|---|
| Molecular Weight | 216.08 g/mol |
| LogP | 2.5301 |
| Topological Polar Surface Area | 39.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 216.07864 |
| Heavy Atoms | 16 |
| Complexity | 581.2377 |
Chemical Identifiers
| CAS Number | 55136-74-8 |
|---|---|
| SMILES | COC1=C(C2=C(C=C1)C=CC(=O)O2)CC=C |
Product Overview
8-allyl-7-methoxy-2H-chromen-2-one (CAS 55136-74-8), with molecular formula C13H12O3 and molecular weight 216.08 g/mol. IUPAC: 7-methoxy-8-prop-2-enylchromen-2-one.
Chemical Property Profile of 8-allyl-7-methoxy-2H-chromen-2-one
Property Insights of 8-allyl-7-methoxy-2H-chromen-2-one
The XLogP value of 2.5301 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-allyl-7-methoxy-2H-chromen-2-one. With a topological polar surface area (TPSA) of 39.44 Ų, 8-allyl-7-methoxy-2H-chromen-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 8-allyl-7-methoxy-2H-chromen-2-one has 0 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 8-allyl-7-methoxy-2H-chromen-2-one?
The CAS number of 8-allyl-7-methoxy-2H-chromen-2-one is 55136-74-8.
What is the molecular formula of 8-allyl-7-methoxy-2H-chromen-2-one?
The molecular formula of 8-allyl-7-methoxy-2H-chromen-2-one is C13H12O3.
What is the molecular weight of 8-allyl-7-methoxy-2H-chromen-2-one?
The molecular weight of 8-allyl-7-methoxy-2H-chromen-2-one is 216.08 g/mol.
Where can I buy 8-allyl-7-methoxy-2H-chromen-2-one?
You can request a quote for 8-allyl-7-methoxy-2H-chromen-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-allyl-7-methoxy-2H-chromen-2-one?
Yes, KEHONG BIO provides custom synthesis services for 8-allyl-7-methoxy-2H-chromen-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.