![1-Methyl-7-oxabicyclo[4.1.0]hept-3-ene-2,5-dione structure](/static/products/5516/55164-59-5.webp)
1-Methyl-7-oxabicyclo[4.1.0]hept-3-ene-2,5-dione
TL;DR: 1-Methyl-7-oxabicyclo[4.1.0]hept-3-ene-2,5-dione (CAS 55164-59-5) is a chemical compound with molecular formula C7H6O3 and molecular weight 138.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-7-oxabicyclo[4.1.0]hept-3-ene-2,5-dione
Also Known As: 1-methyl-7-oxabicyclo[4.1.0]hept-3-ene-2,5-dione, 6-methyl-7-oxabicyclo[4.1.0]hept-3-ene-2,5-dione, J3.471.134H, 1-Methyl-7-oxabicyclo[4.1.0]hepta-3-ene-2,5-dione, 2,5-Dioxo-1(oder 3)-methyl-7-oxa-bicyclo<4.1.0>hepten-(3)
| Molecular Formula | C7H6O3 |
|---|---|
| Molecular Weight | 138.03 g/mol |
| LogP | -0.2 |
| Topological Polar Surface Area | 46.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 138.0317 |
| Heavy Atoms | 10 |
| Complexity | 254.0 |
Chemical Identifiers
| CAS Number | 55164-59-5 |
|---|---|
| SMILES | CC12C(O1)C(=O)C=CC2=O |
| InChIKey | WTNIJDJQHWUSHX-UHFFFAOYSA-N |
Product Overview
1-Methyl-7-oxabicyclo[4.1.0]hept-3-ene-2,5-dione (CAS 55164-59-5), with molecular formula C7H6O3 and molecular weight 138.03 g/mol. IUPAC: 1-methyl-7-oxabicyclo[4.1.0]hept-3-ene-2,5-dione.
Chemical Property Profile of 1-Methyl-7-oxabicyclo[4.1.0]hept-3-ene-2,5-dione
Property Insights of 1-Methyl-7-oxabicyclo[4.1.0]hept-3-ene-2,5-dione
The XLogP value of -0.2 indicates that 1-Methyl-7-oxabicyclo[4.1.0]hept-3-ene-2,5-dione is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 46.7 Ų, 1-Methyl-7-oxabicyclo[4.1.0]hept-3-ene-2,5-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Methyl-7-oxabicyclo[4.1.0]hept-3-ene-2,5-dione 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 1-Methyl-7-oxabicyclo[4.1.0]hept-3-ene-2,5-dione?
The CAS number of 1-Methyl-7-oxabicyclo[4.1.0]hept-3-ene-2,5-dione is 55164-59-5.
What is the molecular formula of 1-Methyl-7-oxabicyclo[4.1.0]hept-3-ene-2,5-dione?
The molecular formula of 1-Methyl-7-oxabicyclo[4.1.0]hept-3-ene-2,5-dione is C7H6O3.
What is the molecular weight of 1-Methyl-7-oxabicyclo[4.1.0]hept-3-ene-2,5-dione?
The molecular weight of 1-Methyl-7-oxabicyclo[4.1.0]hept-3-ene-2,5-dione is 138.03 g/mol.
Where can I buy 1-Methyl-7-oxabicyclo[4.1.0]hept-3-ene-2,5-dione?
You can request a quote for 1-Methyl-7-oxabicyclo[4.1.0]hept-3-ene-2,5-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Methyl-7-oxabicyclo[4.1.0]hept-3-ene-2,5-dione?
Yes, KEHONG BIO provides custom synthesis services for 1-Methyl-7-oxabicyclo[4.1.0]hept-3-ene-2,5-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.