7-Oxo-1,3,5-cycloheptatrien-1-yl 2-methoxybenzoate
TL;DR: 7-Oxo-1,3,5-cycloheptatrien-1-yl 2-methoxybenzoate (CAS 16236-29-6) is a chemical compound with molecular formula C15H12O4 and molecular weight 256.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(7-oxocyclohepta-1,3,5-trien-1-yl) 2-methoxybenzoate
Also Known As: 7-OXOCYCLOHEPTA-1,3,5-TRIEN-1-YL 2-METHOXYBENZOATE, 7-Oxo-1,3,5-cycloheptatrien-1-yl 2-methoxybenzoate, (7-oxocyclohepta-1,3,5-trien-1-yl) 2-methoxybenzoate, RefChem:311239
| Molecular Formula | C15H12O4 |
|---|---|
| Molecular Weight | 256.07 g/mol |
| LogP | 2.2746 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 256.07355 |
| Heavy Atoms | 19 |
| Complexity | 649.3622 |
Chemical Identifiers
| CAS Number | 16236-29-6 |
|---|---|
| SMILES | COC1=CC=CC=C1C(=O)OC2=CC=CC=CC2=O |
Product Overview
7-Oxo-1,3,5-cycloheptatrien-1-yl 2-methoxybenzoate (CAS 16236-29-6), with molecular formula C15H12O4 and molecular weight 256.07 g/mol. IUPAC: (7-oxocyclohepta-1,3,5-trien-1-yl) 2-methoxybenzoate.
Chemical Property Profile of 7-Oxo-1,3,5-cycloheptatrien-1-yl 2-methoxybenzoate
Property Insights of 7-Oxo-1,3,5-cycloheptatrien-1-yl 2-methoxybenzoate
The XLogP value of 2.2746 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-Oxo-1,3,5-cycloheptatrien-1-yl 2-methoxybenzoate. With a topological polar surface area (TPSA) of 52.6 Ų, 7-Oxo-1,3,5-cycloheptatrien-1-yl 2-methoxybenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-Oxo-1,3,5-cycloheptatrien-1-yl 2-methoxybenzoate 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-Oxo-1,3,5-cycloheptatrien-1-yl 2-methoxybenzoate?
The CAS number of 7-Oxo-1,3,5-cycloheptatrien-1-yl 2-methoxybenzoate is 16236-29-6.
What is the molecular formula of 7-Oxo-1,3,5-cycloheptatrien-1-yl 2-methoxybenzoate?
The molecular formula of 7-Oxo-1,3,5-cycloheptatrien-1-yl 2-methoxybenzoate is C15H12O4.
What is the molecular weight of 7-Oxo-1,3,5-cycloheptatrien-1-yl 2-methoxybenzoate?
The molecular weight of 7-Oxo-1,3,5-cycloheptatrien-1-yl 2-methoxybenzoate is 256.07 g/mol.
Where can I buy 7-Oxo-1,3,5-cycloheptatrien-1-yl 2-methoxybenzoate?
You can request a quote for 7-Oxo-1,3,5-cycloheptatrien-1-yl 2-methoxybenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-Oxo-1,3,5-cycloheptatrien-1-yl 2-methoxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for 7-Oxo-1,3,5-cycloheptatrien-1-yl 2-methoxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.