3,4-dihydro-2H-1,5-benzodioxepin-7-yl(phenyl)methanone
TL;DR: 3,4-dihydro-2H-1,5-benzodioxepin-7-yl(phenyl)methanone (CAS 147644-07-3) is a chemical compound with molecular formula C16H14O3 and molecular weight 254.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4-dihydro-2H-1,5-benzodioxepin-7-yl(phenyl)methanone
Also Known As: 3,4-dihydro-2H-1,5-benzodioxepin-7-yl(phenyl)methanone, Maybridge1_002229, 4-Piperidin-1-yl-benzonitrile, 7-benzoyl-3,4-dihydro-2H-1,5-benzodioxepine, Methanone,(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)phenyl-
| Molecular Formula | C16H14O3 |
|---|---|
| Molecular Weight | 254.09 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 254.0943 |
| Heavy Atoms | 19 |
| Complexity | 309.0 |
Chemical Identifiers
| CAS Number | 147644-07-3 |
|---|---|
| SMILES | C1COC2=C(C=C(C=C2)C(=O)C3=CC=CC=C3)OC1 |
| InChIKey | ATBWIKKKUXNBHF-UHFFFAOYSA-N |
Product Overview
3,4-dihydro-2H-1,5-benzodioxepin-7-yl(phenyl)methanone (CAS 147644-07-3), with molecular formula C16H14O3 and molecular weight 254.09 g/mol. IUPAC: 3,4-dihydro-2H-1,5-benzodioxepin-7-yl(phenyl)methanone.
Chemical Property Profile of 3,4-dihydro-2H-1,5-benzodioxepin-7-yl(phenyl)methanone
Property Insights of 3,4-dihydro-2H-1,5-benzodioxepin-7-yl(phenyl)methanone
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4-dihydro-2H-1,5-benzodioxepin-7-yl(phenyl)methanone. With a topological polar surface area (TPSA) of 35.5 Ų, 3,4-dihydro-2H-1,5-benzodioxepin-7-yl(phenyl)methanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4-dihydro-2H-1,5-benzodioxepin-7-yl(phenyl)methanone has 0 hydrogen bond donor(s) and 3 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 3,4-dihydro-2H-1,5-benzodioxepin-7-yl(phenyl)methanone?
The CAS number of 3,4-dihydro-2H-1,5-benzodioxepin-7-yl(phenyl)methanone is 147644-07-3.
What is the molecular formula of 3,4-dihydro-2H-1,5-benzodioxepin-7-yl(phenyl)methanone?
The molecular formula of 3,4-dihydro-2H-1,5-benzodioxepin-7-yl(phenyl)methanone is C16H14O3.
What is the molecular weight of 3,4-dihydro-2H-1,5-benzodioxepin-7-yl(phenyl)methanone?
The molecular weight of 3,4-dihydro-2H-1,5-benzodioxepin-7-yl(phenyl)methanone is 254.09 g/mol.
Where can I buy 3,4-dihydro-2H-1,5-benzodioxepin-7-yl(phenyl)methanone?
You can request a quote for 3,4-dihydro-2H-1,5-benzodioxepin-7-yl(phenyl)methanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-dihydro-2H-1,5-benzodioxepin-7-yl(phenyl)methanone?
Yes, KEHONG BIO provides custom synthesis services for 3,4-dihydro-2H-1,5-benzodioxepin-7-yl(phenyl)methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.