4,5-Dihydrooxepine
TL;DR: 4,5-Dihydrooxepine (CAS 29329-01-9) is a chemical compound with molecular formula C6H8O and molecular weight 96.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,5-dihydrooxepine
Also Known As: 4,5-dihydrooxepine, 4,5-Dihydrooxepin, oxepin, 4,5-dihydro-, 4,5-dihydro-oxepin, 4,5-dihydro-oxepine
| Molecular Formula | C6H8O |
|---|---|
| Molecular Weight | 96.06 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 96.05752 |
| Heavy Atoms | 7 |
| Complexity | 80.0 |
Chemical Identifiers
| CAS Number | 29329-01-9 |
|---|---|
| SMILES | C1CC=COC=C1 |
| InChIKey | MFGFKKVWWFCBST-UHFFFAOYSA-N |
Product Overview
4,5-Dihydrooxepine (CAS 29329-01-9), with molecular formula C6H8O and molecular weight 96.06 g/mol. IUPAC: 4,5-dihydrooxepine.
Chemical Property Profile of 4,5-Dihydrooxepine
Property Insights of 4,5-Dihydrooxepine
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,5-Dihydrooxepine. With a topological polar surface area (TPSA) of 9.2 Ų, 4,5-Dihydrooxepine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,5-Dihydrooxepine 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 4,5-Dihydrooxepine?
The CAS number of 4,5-Dihydrooxepine is 29329-01-9.
What is the molecular formula of 4,5-Dihydrooxepine?
The molecular formula of 4,5-Dihydrooxepine is C6H8O.
What is the molecular weight of 4,5-Dihydrooxepine?
The molecular weight of 4,5-Dihydrooxepine is 96.06 g/mol.
Where can I buy 4,5-Dihydrooxepine?
You can request a quote for 4,5-Dihydrooxepine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,5-Dihydrooxepine?
Yes, KEHONG BIO provides custom synthesis services for 4,5-Dihydrooxepine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.