Methanone, phenyl(2,3,4,5-tetrahydro-1-benzoxepin-7-yl)-
TL;DR: Methanone, phenyl(2,3,4,5-tetrahydro-1-benzoxepin-7-yl)- (CAS 147394-48-7) is a chemical compound with molecular formula C17H16O2 and molecular weight 252.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
phenyl(2,3,4,5-tetrahydro-1-benzoxepin-7-yl)methanone
Also Known As: Phenyl(2,3,4,5-tetrahydro-1-benzoxepin-7-yl)methanone, Methanone, phenyl(2,3,4,5-tetrahydro-1-benzoxepin-7-yl)-, 7-Benzoyl-2,3,4,5-tetrahydro-1-benzoxepin, 7-BENZOYL-2,3,4,5-TETRAHYDRO-1-BENZOXEPINE, 2-OXABICYCLO[5.4.0]UNDECA-8,10,12-TRIEN-9-YL-PHENYL-METHANONE
| Molecular Formula | C17H16O2 |
|---|---|
| Molecular Weight | 252.12 g/mol |
| LogP | 3.6327 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 252.11504 |
| Heavy Atoms | 19 |
| Complexity | 587.466 |
Chemical Identifiers
| CAS Number | 147394-48-7 |
|---|---|
| SMILES | C1CCOC2=C(C1)C=C(C=C2)C(=O)C3=CC=CC=C3 |
Product Overview
Methanone, phenyl(2,3,4,5-tetrahydro-1-benzoxepin-7-yl)- (CAS 147394-48-7), with molecular formula C17H16O2 and molecular weight 252.12 g/mol. IUPAC: phenyl(2,3,4,5-tetrahydro-1-benzoxepin-7-yl)methanone.
Chemical Property Profile of Methanone, phenyl(2,3,4,5-tetrahydro-1-benzoxepin-7-yl)-
Property Insights of Methanone, phenyl(2,3,4,5-tetrahydro-1-benzoxepin-7-yl)-
The XLogP value of 3.6327 indicates that Methanone, phenyl(2,3,4,5-tetrahydro-1-benzoxepin-7-yl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Methanone, phenyl(2,3,4,5-tetrahydro-1-benzoxepin-7-yl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methanone, phenyl(2,3,4,5-tetrahydro-1-benzoxepin-7-yl)- 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 Methanone, phenyl(2,3,4,5-tetrahydro-1-benzoxepin-7-yl)-?
The CAS number of Methanone, phenyl(2,3,4,5-tetrahydro-1-benzoxepin-7-yl)- is 147394-48-7.
What is the molecular formula of Methanone, phenyl(2,3,4,5-tetrahydro-1-benzoxepin-7-yl)-?
The molecular formula of Methanone, phenyl(2,3,4,5-tetrahydro-1-benzoxepin-7-yl)- is C17H16O2.
What is the molecular weight of Methanone, phenyl(2,3,4,5-tetrahydro-1-benzoxepin-7-yl)-?
The molecular weight of Methanone, phenyl(2,3,4,5-tetrahydro-1-benzoxepin-7-yl)- is 252.12 g/mol.
Where can I buy Methanone, phenyl(2,3,4,5-tetrahydro-1-benzoxepin-7-yl)-?
You can request a quote for Methanone, phenyl(2,3,4,5-tetrahydro-1-benzoxepin-7-yl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methanone, phenyl(2,3,4,5-tetrahydro-1-benzoxepin-7-yl)-?
Yes, KEHONG BIO provides custom synthesis services for Methanone, phenyl(2,3,4,5-tetrahydro-1-benzoxepin-7-yl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.