![acetic acid (11-oxo-6H-benzo[c][1]benzoxepin-2-yl) ester structure](/static/products/2948/294853-36-4.webp)
acetic acid (11-oxo-6H-benzo[c][1]benzoxepin-2-yl) ester
TL;DR: acetic acid (11-oxo-6H-benzo[c][1]benzoxepin-2-yl) ester (CAS 294853-36-4) is a chemical compound with molecular formula C16H12O4 and molecular weight 268.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(11-oxo-6H-benzo[c][1]benzoxepin-2-yl) acetate
Also Known As: (11-oxo-6H-benzo[c][1]benzoxepin-2-yl) acetate, 11-oxo-6,11-dihydrodibenzo[b,e]oxepin-2-yl acetate, acetic acid (11-oxo-6H-benzo[c][1]benzoxepin-2-yl) ester, 2-oxo-9-oxatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3(8),4,6,12,14-hexaen-5-yl acetate, 2-oxo-9-oxatricyclo[9.4.0.0(3),?]pentadeca-1(11),3(8),4,6,12,14-hexaen-5-yl acetate
| Molecular Formula | C16H12O4 |
|---|---|
| Molecular Weight | 268.07 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 268.07355 |
| Heavy Atoms | 20 |
| Complexity | 392.0 |
Chemical Identifiers
| CAS Number | 294853-36-4 |
|---|---|
| SMILES | CC(=O)OC1=CC2=C(C=C1)OCC3=CC=CC=C3C2=O |
| InChIKey | RNFDQFXMAXHPKE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
acetic acid (11-oxo-6H-benzo[c][1]benzoxepin-2-yl) ester (CAS 294853-36-4), with molecular formula C16H12O4 and molecular weight 268.07 g/mol. IUPAC: (11-oxo-6H-benzo[c][1]benzoxepin-2-yl) acetate.
Chemical Property Profile of acetic acid (11-oxo-6H-benzo[c][1]benzoxepin-2-yl) ester
Property Insights of acetic acid (11-oxo-6H-benzo[c][1]benzoxepin-2-yl) ester
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for acetic acid (11-oxo-6H-benzo[c][1]benzoxepin-2-yl) ester. With a topological polar surface area (TPSA) of 52.6 Ų, acetic acid (11-oxo-6H-benzo[c][1]benzoxepin-2-yl) ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, acetic acid (11-oxo-6H-benzo[c][1]benzoxepin-2-yl) ester 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 acetic acid (11-oxo-6H-benzo[c][1]benzoxepin-2-yl) ester?
The CAS number of acetic acid (11-oxo-6H-benzo[c][1]benzoxepin-2-yl) ester is 294853-36-4.
What is the molecular formula of acetic acid (11-oxo-6H-benzo[c][1]benzoxepin-2-yl) ester?
The molecular formula of acetic acid (11-oxo-6H-benzo[c][1]benzoxepin-2-yl) ester is C16H12O4.
What is the molecular weight of acetic acid (11-oxo-6H-benzo[c][1]benzoxepin-2-yl) ester?
The molecular weight of acetic acid (11-oxo-6H-benzo[c][1]benzoxepin-2-yl) ester is 268.07 g/mol.
Where can I buy acetic acid (11-oxo-6H-benzo[c][1]benzoxepin-2-yl) ester?
You can request a quote for acetic acid (11-oxo-6H-benzo[c][1]benzoxepin-2-yl) ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for acetic acid (11-oxo-6H-benzo[c][1]benzoxepin-2-yl) ester?
Yes, KEHONG BIO provides custom synthesis services for acetic acid (11-oxo-6H-benzo[c][1]benzoxepin-2-yl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.