![3,9-Dimethyldibenzo[c,e]oxepine-5,7-dione structure](/static/products/3542/35427-94-2.webp)
3,9-Dimethyldibenzo[c,e]oxepine-5,7-dione
TL;DR: 3,9-Dimethyldibenzo[c,e]oxepine-5,7-dione (CAS 35427-94-2) is a chemical compound with molecular formula C16H12O3 and molecular weight 252.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,9-dimethylbenzo[d][2]benzoxepine-5,7-dione
Also Known As: 2-bromo-3-hydroxynaphthalene, 3,9-dimethyldibenzo[c,e]oxepine-5,7-dione, 3,9-dimethylbenzo[d][2]benzoxepine-5,7-dione
| Molecular Formula | C16H12O3 |
|---|---|
| Molecular Weight | 252.08 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 252.07864 |
| Heavy Atoms | 19 |
| Complexity | 353.0 |
Chemical Identifiers
| CAS Number | 35427-94-2 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)C3=C(C=C(C=C3)C)C(=O)OC2=O |
| InChIKey | FSAOQZWOCLNWRX-UHFFFAOYSA-N |
Product Overview
3,9-Dimethyldibenzo[c,e]oxepine-5,7-dione (CAS 35427-94-2), with molecular formula C16H12O3 and molecular weight 252.08 g/mol. IUPAC: 3,9-dimethylbenzo[d][2]benzoxepine-5,7-dione.
Chemical Property Profile of 3,9-Dimethyldibenzo[c,e]oxepine-5,7-dione
Property Insights of 3,9-Dimethyldibenzo[c,e]oxepine-5,7-dione
The XLogP value of 3.6 indicates that 3,9-Dimethyldibenzo[c,e]oxepine-5,7-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.4 Ų, 3,9-Dimethyldibenzo[c,e]oxepine-5,7-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,9-Dimethyldibenzo[c,e]oxepine-5,7-dione 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 3,9-Dimethyldibenzo[c,e]oxepine-5,7-dione?
The CAS number of 3,9-Dimethyldibenzo[c,e]oxepine-5,7-dione is 35427-94-2.
What is the molecular formula of 3,9-Dimethyldibenzo[c,e]oxepine-5,7-dione?
The molecular formula of 3,9-Dimethyldibenzo[c,e]oxepine-5,7-dione is C16H12O3.
What is the molecular weight of 3,9-Dimethyldibenzo[c,e]oxepine-5,7-dione?
The molecular weight of 3,9-Dimethyldibenzo[c,e]oxepine-5,7-dione is 252.08 g/mol.
Where can I buy 3,9-Dimethyldibenzo[c,e]oxepine-5,7-dione?
You can request a quote for 3,9-Dimethyldibenzo[c,e]oxepine-5,7-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,9-Dimethyldibenzo[c,e]oxepine-5,7-dione?
Yes, KEHONG BIO provides custom synthesis services for 3,9-Dimethyldibenzo[c,e]oxepine-5,7-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.