2,7-Dimethyloxepine
TL;DR: 2,7-Dimethyloxepine (CAS 1487-99-6) is a chemical compound with molecular formula C8H10O and molecular weight 122.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,7-dimethyloxepine
Also Known As: 2,7-Dimethyloxepine, Oxepin, 2,7-dimethyl-, 2,7-DIMETHYLOXEPIN, Oxepine,2,7-dimethyl, Oxepin,2,7-dimethyl-
| Molecular Formula | C8H10O |
|---|---|
| Molecular Weight | 122.07 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 122.073166 |
| Heavy Atoms | 9 |
| Complexity | 165.0 |
Chemical Identifiers
| CAS Number | 1487-99-6 |
|---|---|
| SMILES | CC1=CC=CC=C(O1)C |
| InChIKey | SFVUIUUSVAMYPP-UHFFFAOYSA-N |
Product Overview
2,7-Dimethyloxepine (CAS 1487-99-6), with molecular formula C8H10O and molecular weight 122.07 g/mol. IUPAC: 2,7-dimethyloxepine.
Chemical Property Profile of 2,7-Dimethyloxepine
Property Insights of 2,7-Dimethyloxepine
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,7-Dimethyloxepine. With a topological polar surface area (TPSA) of 9.2 Ų, 2,7-Dimethyloxepine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,7-Dimethyloxepine has 0 hydrogen bond donor(s) and 1 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 2,7-Dimethyloxepine?
The CAS number of 2,7-Dimethyloxepine is 1487-99-6.
What is the molecular formula of 2,7-Dimethyloxepine?
The molecular formula of 2,7-Dimethyloxepine is C8H10O.
What is the molecular weight of 2,7-Dimethyloxepine?
The molecular weight of 2,7-Dimethyloxepine is 122.07 g/mol.
Where can I buy 2,7-Dimethyloxepine?
You can request a quote for 2,7-Dimethyloxepine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,7-Dimethyloxepine?
Yes, KEHONG BIO provides custom synthesis services for 2,7-Dimethyloxepine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.