1-Benzoxepin-2(3H)-one, octahydro-
TL;DR: 1-Benzoxepin-2(3H)-one, octahydro- (CAS 4441-65-0) is a chemical compound with molecular formula C10H16O2 and molecular weight 168.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,5,5a,6,7,8,9,9a-octahydro-3H-benzo[b]oxepin-2-one
Also Known As: decahydro-1-benzoxepin-2-one, Decahydro-1-benzooxepin-2-one, Octahydro-1-benzoxepin-2(3H)-one, octahydrobenzo[b]oxepin-2(3H)-one, 1-Benzoxepin-2(3H)-one, octahydro-
| Molecular Formula | C10H16O2 |
|---|---|
| Molecular Weight | 168.12 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 168.11504 |
| Heavy Atoms | 12 |
| Complexity | 177.0 |
Chemical Identifiers
| CAS Number | 4441-65-0 |
|---|---|
| SMILES | C1CCC2C(C1)CCCC(=O)O2 |
| InChIKey | JFTXZBPTXPXYOF-UHFFFAOYSA-N |
Product Overview
1-Benzoxepin-2(3H)-one, octahydro- (CAS 4441-65-0), with molecular formula C10H16O2 and molecular weight 168.12 g/mol. IUPAC: 4,5,5a,6,7,8,9,9a-octahydro-3H-benzo[b]oxepin-2-one.
Chemical Property Profile of 1-Benzoxepin-2(3H)-one, octahydro-
Property Insights of 1-Benzoxepin-2(3H)-one, octahydro-
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Benzoxepin-2(3H)-one, octahydro-. With a topological polar surface area (TPSA) of 26.3 Ų, 1-Benzoxepin-2(3H)-one, octahydro- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Benzoxepin-2(3H)-one, octahydro- 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 1-Benzoxepin-2(3H)-one, octahydro-?
The CAS number of 1-Benzoxepin-2(3H)-one, octahydro- is 4441-65-0.
What is the molecular formula of 1-Benzoxepin-2(3H)-one, octahydro-?
The molecular formula of 1-Benzoxepin-2(3H)-one, octahydro- is C10H16O2.
What is the molecular weight of 1-Benzoxepin-2(3H)-one, octahydro-?
The molecular weight of 1-Benzoxepin-2(3H)-one, octahydro- is 168.12 g/mol.
Where can I buy 1-Benzoxepin-2(3H)-one, octahydro-?
You can request a quote for 1-Benzoxepin-2(3H)-one, octahydro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Benzoxepin-2(3H)-one, octahydro-?
Yes, KEHONG BIO provides custom synthesis services for 1-Benzoxepin-2(3H)-one, octahydro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.