3-Acetyl-8-allyl-2H-chromen-2-one
TL;DR: 3-Acetyl-8-allyl-2H-chromen-2-one (CAS 6961-52-0) is a chemical compound with molecular formula C14H12O3 and molecular weight 228.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-acetyl-8-prop-2-enylchromen-2-one
Also Known As: 3-Acetyl-8-allyl-2H-chromen-2-one, NEWANTITUMOR, Coumarin, 3-acetyl-8-allyl-, 3-acetyl-8-prop-2-enylchromen-2-one, 3-Acetyl-8-allyl-chromen-2-one
| Molecular Formula | C14H12O3 |
|---|---|
| Molecular Weight | 228.08 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 228.07864 |
| Heavy Atoms | 17 |
| Complexity | 381.0 |
Chemical Identifiers
| CAS Number | 6961-52-0 |
|---|---|
| SMILES | CC(=O)C1=CC2=C(C(=CC=C2)CC=C)OC1=O |
| InChIKey | NEJFWOZMTMIYSE-UHFFFAOYSA-N |
Product Overview
3-Acetyl-8-allyl-2H-chromen-2-one (CAS 6961-52-0), with molecular formula C14H12O3 and molecular weight 228.08 g/mol. IUPAC: 3-acetyl-8-prop-2-enylchromen-2-one.
Chemical Property Profile of 3-Acetyl-8-allyl-2H-chromen-2-one
Property Insights of 3-Acetyl-8-allyl-2H-chromen-2-one
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Acetyl-8-allyl-2H-chromen-2-one. With a topological polar surface area (TPSA) of 43.4 Ų, 3-Acetyl-8-allyl-2H-chromen-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Acetyl-8-allyl-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 3-Acetyl-8-allyl-2H-chromen-2-one?
The CAS number of 3-Acetyl-8-allyl-2H-chromen-2-one is 6961-52-0.
What is the molecular formula of 3-Acetyl-8-allyl-2H-chromen-2-one?
The molecular formula of 3-Acetyl-8-allyl-2H-chromen-2-one is C14H12O3.
What is the molecular weight of 3-Acetyl-8-allyl-2H-chromen-2-one?
The molecular weight of 3-Acetyl-8-allyl-2H-chromen-2-one is 228.08 g/mol.
Where can I buy 3-Acetyl-8-allyl-2H-chromen-2-one?
You can request a quote for 3-Acetyl-8-allyl-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 3-Acetyl-8-allyl-2H-chromen-2-one?
Yes, KEHONG BIO provides custom synthesis services for 3-Acetyl-8-allyl-2H-chromen-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.