1-Methoxycarbonylmethylenebenzocyclobuten-2-one
TL;DR: 1-Methoxycarbonylmethylenebenzocyclobuten-2-one (CAS 34288-39-6) is a chemical compound with molecular formula C11H8O3 and molecular weight 188.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (2E)-2-(8-oxo-7-bicyclo[4.2.0]octa-1,3,5-trienylidene)acetate
Also Known As: 1-Methoxycarbonylmethylenebenzocyclobuten-2-one, 1-Keto-2-carbomethoxymethylenbenzocyclobuten, J1.181.941I, [(E)-2-Oxo-1,2-dihydrobenzocyclobutene-1-ylidene]acetic acid methyl ester, Methyl (2E)-(8-oxobicyclo[4.2.0]octa-1,3,5-trien-7-ylidene)ethanoate #
| Molecular Formula | C11H8O3 |
|---|---|
| Molecular Weight | 188.05 g/mol |
| LogP | 1.4393 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 188.04735 |
| Heavy Atoms | 14 |
| Complexity | 443.6008 |
Chemical Identifiers
| CAS Number | 34288-39-6 |
|---|---|
| SMILES | COC(=O)/C=C/1\C2=CC=CC=C2C1=O |
Product Overview
1-Methoxycarbonylmethylenebenzocyclobuten-2-one (CAS 34288-39-6), with molecular formula C11H8O3 and molecular weight 188.05 g/mol. IUPAC: methyl (2E)-2-(8-oxo-7-bicyclo[4.2.0]octa-1,3,5-trienylidene)acetate.
Chemical Property Profile of 1-Methoxycarbonylmethylenebenzocyclobuten-2-one
Property Insights of 1-Methoxycarbonylmethylenebenzocyclobuten-2-one
The XLogP value of 1.4393 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Methoxycarbonylmethylenebenzocyclobuten-2-one. With a topological polar surface area (TPSA) of 43.37 Ų, 1-Methoxycarbonylmethylenebenzocyclobuten-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Methoxycarbonylmethylenebenzocyclobuten-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 1-Methoxycarbonylmethylenebenzocyclobuten-2-one?
The CAS number of 1-Methoxycarbonylmethylenebenzocyclobuten-2-one is 34288-39-6.
What is the molecular formula of 1-Methoxycarbonylmethylenebenzocyclobuten-2-one?
The molecular formula of 1-Methoxycarbonylmethylenebenzocyclobuten-2-one is C11H8O3.
What is the molecular weight of 1-Methoxycarbonylmethylenebenzocyclobuten-2-one?
The molecular weight of 1-Methoxycarbonylmethylenebenzocyclobuten-2-one is 188.05 g/mol.
Where can I buy 1-Methoxycarbonylmethylenebenzocyclobuten-2-one?
You can request a quote for 1-Methoxycarbonylmethylenebenzocyclobuten-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Methoxycarbonylmethylenebenzocyclobuten-2-one?
Yes, KEHONG BIO provides custom synthesis services for 1-Methoxycarbonylmethylenebenzocyclobuten-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.