7-Methoxy-6-((1E)-3-oxo-1-buten-1-yl)-2H-1-benzopyran-2-one
TL;DR: 7-Methoxy-6-((1E)-3-oxo-1-buten-1-yl)-2H-1-benzopyran-2-one (CAS 35897-95-1) 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.
7-methoxy-6-[(E)-3-oxobut-1-enyl]chromen-2-one
Also Known As: Suberenon, Subernon, 7-Methoxy-6-(3-oxo-1-butenyl)coumarin, 6-(trans-1-Buten-3-onyl)-7-methoxycoumarin, 7-methoxy-6-[(E)-3-oxobut-1-enyl]chromen-2-one
| Molecular Formula | C14H12O4 |
|---|---|
| Molecular Weight | 244.07 g/mol |
| LogP | 2.4038 |
| Topological Polar Surface Area | 56.51 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 244.07356 |
| Heavy Atoms | 18 |
| Complexity | 679.7437 |
Chemical Identifiers
| CAS Number | 35897-95-1 |
|---|---|
| SMILES | CC(=O)/C=C/C1=C(C=C2C(=C1)C=CC(=O)O2)OC |
Product Overview
7-Methoxy-6-((1E)-3-oxo-1-buten-1-yl)-2H-1-benzopyran-2-one (CAS 35897-95-1), with molecular formula C14H12O4 and molecular weight 244.07 g/mol. IUPAC: 7-methoxy-6-[(E)-3-oxobut-1-enyl]chromen-2-one.
Chemical Property Profile of 7-Methoxy-6-((1E)-3-oxo-1-buten-1-yl)-2H-1-benzopyran-2-one
Property Insights of 7-Methoxy-6-((1E)-3-oxo-1-buten-1-yl)-2H-1-benzopyran-2-one
The XLogP value of 2.4038 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-Methoxy-6-((1E)-3-oxo-1-buten-1-yl)-2H-1-benzopyran-2-one. With a topological polar surface area (TPSA) of 56.51 Ų, 7-Methoxy-6-((1E)-3-oxo-1-buten-1-yl)-2H-1-benzopyran-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-Methoxy-6-((1E)-3-oxo-1-buten-1-yl)-2H-1-benzopyran-2-one 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 7-Methoxy-6-((1E)-3-oxo-1-buten-1-yl)-2H-1-benzopyran-2-one?
The CAS number of 7-Methoxy-6-((1E)-3-oxo-1-buten-1-yl)-2H-1-benzopyran-2-one is 35897-95-1.
What is the molecular formula of 7-Methoxy-6-((1E)-3-oxo-1-buten-1-yl)-2H-1-benzopyran-2-one?
The molecular formula of 7-Methoxy-6-((1E)-3-oxo-1-buten-1-yl)-2H-1-benzopyran-2-one is C14H12O4.
What is the molecular weight of 7-Methoxy-6-((1E)-3-oxo-1-buten-1-yl)-2H-1-benzopyran-2-one?
The molecular weight of 7-Methoxy-6-((1E)-3-oxo-1-buten-1-yl)-2H-1-benzopyran-2-one is 244.07 g/mol.
Where can I buy 7-Methoxy-6-((1E)-3-oxo-1-buten-1-yl)-2H-1-benzopyran-2-one?
You can request a quote for 7-Methoxy-6-((1E)-3-oxo-1-buten-1-yl)-2H-1-benzopyran-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-Methoxy-6-((1E)-3-oxo-1-buten-1-yl)-2H-1-benzopyran-2-one?
Yes, KEHONG BIO provides custom synthesis services for 7-Methoxy-6-((1E)-3-oxo-1-buten-1-yl)-2H-1-benzopyran-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.