7-tert-Butyloxepan-2-one
TL;DR: 7-tert-Butyloxepan-2-one (CAS 57512-44-4) is a chemical compound with molecular formula C10H18O2 and molecular weight 170.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-tert-butyloxepan-2-one
Also Known As: 7-tert-Butyloxepan-2-one, 7-tert-Butyloxepane-2-one, 7-(1,1-Dimethylethyl)-2-oxepanone, 7-tert-Butylhexahydrooxepin-2-one, 2-Oxepanone,7-(1,1-dimethylethyl)-
| Molecular Formula | C10H18O2 |
|---|---|
| Molecular Weight | 170.13 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 170.13068 |
| Heavy Atoms | 12 |
| Complexity | 167.0 |
Chemical Identifiers
| CAS Number | 57512-44-4 |
|---|---|
| SMILES | CC(C)(C)C1CCCCC(=O)O1 |
| InChIKey | GFKHGDDHRNDUDP-UHFFFAOYSA-N |
Product Overview
7-tert-Butyloxepan-2-one (CAS 57512-44-4), with molecular formula C10H18O2 and molecular weight 170.13 g/mol. IUPAC: 7-tert-butyloxepan-2-one.
Chemical Property Profile of 7-tert-Butyloxepan-2-one
Property Insights of 7-tert-Butyloxepan-2-one
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-tert-Butyloxepan-2-one. With a topological polar surface area (TPSA) of 26.3 Ų, 7-tert-Butyloxepan-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-tert-Butyloxepan-2-one has 0 hydrogen bond donor(s) and 2 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 7-tert-Butyloxepan-2-one?
The CAS number of 7-tert-Butyloxepan-2-one is 57512-44-4.
What is the molecular formula of 7-tert-Butyloxepan-2-one?
The molecular formula of 7-tert-Butyloxepan-2-one is C10H18O2.
What is the molecular weight of 7-tert-Butyloxepan-2-one?
The molecular weight of 7-tert-Butyloxepan-2-one is 170.13 g/mol.
Where can I buy 7-tert-Butyloxepan-2-one?
You can request a quote for 7-tert-Butyloxepan-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-tert-Butyloxepan-2-one?
Yes, KEHONG BIO provides custom synthesis services for 7-tert-Butyloxepan-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.