![7-Bicyclo[4.2.0]octa-1,3,5-trienyl 4-methoxybenzoate structure](/static/products/101/101640-53-3.png)
7-Bicyclo[4.2.0]octa-1,3,5-trienyl 4-methoxybenzoate
TL;DR: 7-Bicyclo[4.2.0]octa-1,3,5-trienyl 4-methoxybenzoate (CAS 101640-53-3) is a chemical compound with molecular formula C16H14O3 and molecular weight 254.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-bicyclo[4.2.0]octa-1,3,5-trienyl 4-methoxybenzoate
Also Known As: 7-bicyclo[4.2.0]octa-1,3,5-trienyl 4-methoxybenzoate, 2-Ethoxy-3-[1-phenylamino-meth-(E)-ylidene]-chroman-4-one, 4-Methoxy-benzoic acid bicyclo[4.2.0]octa-1,3,5-trien-7-yl ester
| Molecular Formula | C16H14O3 |
|---|---|
| Molecular Weight | 254.09 g/mol |
| LogP | 3.1494 |
| Topological Polar Surface Area | 35.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 254.0943 |
| Heavy Atoms | 19 |
| Complexity | 601.64606 |
Chemical Identifiers
| CAS Number | 101640-53-3 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C(=O)OC2CC3=CC=CC=C23 |
Product Overview
7-Bicyclo[4.2.0]octa-1,3,5-trienyl 4-methoxybenzoate (CAS 101640-53-3), with molecular formula C16H14O3 and molecular weight 254.09 g/mol. IUPAC: 7-bicyclo[4.2.0]octa-1,3,5-trienyl 4-methoxybenzoate.
Chemical Property Profile of 7-Bicyclo[4.2.0]octa-1,3,5-trienyl 4-methoxybenzoate
Property Insights of 7-Bicyclo[4.2.0]octa-1,3,5-trienyl 4-methoxybenzoate
The XLogP value of 3.1494 indicates that 7-Bicyclo[4.2.0]octa-1,3,5-trienyl 4-methoxybenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.53 Ų, 7-Bicyclo[4.2.0]octa-1,3,5-trienyl 4-methoxybenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-Bicyclo[4.2.0]octa-1,3,5-trienyl 4-methoxybenzoate 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-Bicyclo[4.2.0]octa-1,3,5-trienyl 4-methoxybenzoate?
The CAS number of 7-Bicyclo[4.2.0]octa-1,3,5-trienyl 4-methoxybenzoate is 101640-53-3.
What is the molecular formula of 7-Bicyclo[4.2.0]octa-1,3,5-trienyl 4-methoxybenzoate?
The molecular formula of 7-Bicyclo[4.2.0]octa-1,3,5-trienyl 4-methoxybenzoate is C16H14O3.
What is the molecular weight of 7-Bicyclo[4.2.0]octa-1,3,5-trienyl 4-methoxybenzoate?
The molecular weight of 7-Bicyclo[4.2.0]octa-1,3,5-trienyl 4-methoxybenzoate is 254.09 g/mol.
Where can I buy 7-Bicyclo[4.2.0]octa-1,3,5-trienyl 4-methoxybenzoate?
You can request a quote for 7-Bicyclo[4.2.0]octa-1,3,5-trienyl 4-methoxybenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-Bicyclo[4.2.0]octa-1,3,5-trienyl 4-methoxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for 7-Bicyclo[4.2.0]octa-1,3,5-trienyl 4-methoxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.