![Methyl 11-oxo-6,11-dihydrodibenzo[b,e]oxepine-2-carboxylate structure](/static/products/796/79669-87-7.png)
Methyl 11-oxo-6,11-dihydrodibenzo[b,e]oxepine-2-carboxylate
TL;DR: Methyl 11-oxo-6,11-dihydrodibenzo[b,e]oxepine-2-carboxylate (CAS 79669-87-7) 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.
methyl 11-oxo-6H-benzo[c][1]benzoxepine-2-carboxylate
Also Known As: Olopatadine Impurity 53, Bionet2_000813, methyl 11-oxo-6,11-dihydrodibenzo[b,e]oxepine-2-carboxylate, methyl 11-oxo-6H-benzo[c][1]benzoxepine-2-carboxylate, methyl 11-oxodibenz[b,e]oxepin-2-carboxylate
| Molecular Formula | C16H12O4 |
|---|---|
| Molecular Weight | 268.07 g/mol |
| LogP | 2.5966 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 268.07355 |
| Heavy Atoms | 20 |
| Complexity | 703.3731 |
Chemical Identifiers
| CAS Number | 79669-87-7 |
|---|---|
| SMILES | COC(=O)C1=CC2=C(C=C1)OCC3=CC=CC=C3C2=O |
Product Overview
Methyl 11-oxo-6,11-dihydrodibenzo[b,e]oxepine-2-carboxylate (CAS 79669-87-7), with molecular formula C16H12O4 and molecular weight 268.07 g/mol. IUPAC: methyl 11-oxo-6H-benzo[c][1]benzoxepine-2-carboxylate.
Chemical Property Profile of Methyl 11-oxo-6,11-dihydrodibenzo[b,e]oxepine-2-carboxylate
Property Insights of Methyl 11-oxo-6,11-dihydrodibenzo[b,e]oxepine-2-carboxylate
The XLogP value of 2.5966 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 11-oxo-6,11-dihydrodibenzo[b,e]oxepine-2-carboxylate. With a topological polar surface area (TPSA) of 52.6 Ų, Methyl 11-oxo-6,11-dihydrodibenzo[b,e]oxepine-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 11-oxo-6,11-dihydrodibenzo[b,e]oxepine-2-carboxylate 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 Methyl 11-oxo-6,11-dihydrodibenzo[b,e]oxepine-2-carboxylate?
The CAS number of Methyl 11-oxo-6,11-dihydrodibenzo[b,e]oxepine-2-carboxylate is 79669-87-7.
What is the molecular formula of Methyl 11-oxo-6,11-dihydrodibenzo[b,e]oxepine-2-carboxylate?
The molecular formula of Methyl 11-oxo-6,11-dihydrodibenzo[b,e]oxepine-2-carboxylate is C16H12O4.
What is the molecular weight of Methyl 11-oxo-6,11-dihydrodibenzo[b,e]oxepine-2-carboxylate?
The molecular weight of Methyl 11-oxo-6,11-dihydrodibenzo[b,e]oxepine-2-carboxylate is 268.07 g/mol.
Where can I buy Methyl 11-oxo-6,11-dihydrodibenzo[b,e]oxepine-2-carboxylate?
You can request a quote for Methyl 11-oxo-6,11-dihydrodibenzo[b,e]oxepine-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 11-oxo-6,11-dihydrodibenzo[b,e]oxepine-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 11-oxo-6,11-dihydrodibenzo[b,e]oxepine-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.