7-Oxabicyclo(4.1.0)hept-3-ene-2,5-dione, 3-methyl-
TL;DR: 7-Oxabicyclo(4.1.0)hept-3-ene-2,5-dione, 3-methyl- (CAS 15254-70-3) 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.
3-methyl-7-oxabicyclo[4.1.0]hept-3-ene-2,5-dione
Also Known As: 7-Oxabicyclo(4.1.0)hept-3-ene-2,5-dione, 3-methyl-, 4-methyl-7-oxabicyclo[4.1.0]hept-3-ene-2,5-dione, 3-METHYL-7-OXABICYCLO[4.1.0]HEPT-3-ENE-2,5-DIONE
| Molecular Formula | C7H6O3 |
|---|---|
| Molecular Weight | 138.03 g/mol |
| LogP | 0.0 |
| 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 | 252.0 |
Chemical Identifiers
| CAS Number | 15254-70-3 |
|---|---|
| SMILES | CC1=CC(=O)C2C(C1=O)O2 |
| InChIKey | QMPGHDQKVHABLV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
7-Oxabicyclo(4.1.0)hept-3-ene-2,5-dione, 3-methyl- (CAS 15254-70-3), with molecular formula C7H6O3 and molecular weight 138.03 g/mol. IUPAC: 3-methyl-7-oxabicyclo[4.1.0]hept-3-ene-2,5-dione.
Chemical Property Profile of 7-Oxabicyclo(4.1.0)hept-3-ene-2,5-dione, 3-methyl-
Property Insights of 7-Oxabicyclo(4.1.0)hept-3-ene-2,5-dione, 3-methyl-
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-Oxabicyclo(4.1.0)hept-3-ene-2,5-dione, 3-methyl-. With a topological polar surface area (TPSA) of 46.7 Ų, 7-Oxabicyclo(4.1.0)hept-3-ene-2,5-dione, 3-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-Oxabicyclo(4.1.0)hept-3-ene-2,5-dione, 3-methyl- 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 7-Oxabicyclo(4.1.0)hept-3-ene-2,5-dione, 3-methyl-?
The CAS number of 7-Oxabicyclo(4.1.0)hept-3-ene-2,5-dione, 3-methyl- is 15254-70-3.
What is the molecular formula of 7-Oxabicyclo(4.1.0)hept-3-ene-2,5-dione, 3-methyl-?
The molecular formula of 7-Oxabicyclo(4.1.0)hept-3-ene-2,5-dione, 3-methyl- is C7H6O3.
What is the molecular weight of 7-Oxabicyclo(4.1.0)hept-3-ene-2,5-dione, 3-methyl-?
The molecular weight of 7-Oxabicyclo(4.1.0)hept-3-ene-2,5-dione, 3-methyl- is 138.03 g/mol.
Where can I buy 7-Oxabicyclo(4.1.0)hept-3-ene-2,5-dione, 3-methyl-?
You can request a quote for 7-Oxabicyclo(4.1.0)hept-3-ene-2,5-dione, 3-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-Oxabicyclo(4.1.0)hept-3-ene-2,5-dione, 3-methyl-?
Yes, KEHONG BIO provides custom synthesis services for 7-Oxabicyclo(4.1.0)hept-3-ene-2,5-dione, 3-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.