Azocan-1-yl(1,3-benzodioxol-5-yl)methanone
TL;DR: Azocan-1-yl(1,3-benzodioxol-5-yl)methanone (CAS 851898-94-7) is a chemical compound with molecular formula C15H19NO3 and molecular weight 261.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
azocan-1-yl(1,3-benzodioxol-5-yl)methanone
Also Known As: azocan-1-yl(1,3-benzodioxol-5-yl)methanone, 2H-benzo[3,4-d]1,3-dioxolan-5-yl azaperhydroocinyl ketone
| Molecular Formula | C15H19NO3 |
|---|---|
| Molecular Weight | 261.14 g/mol |
| LogP | 2.8216 |
| Topological Polar Surface Area | 38.77 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 261.1365 |
| Heavy Atoms | 19 |
| Complexity | 464.45853 |
Chemical Identifiers
| CAS Number | 851898-94-7 |
|---|---|
| SMILES | C1CCCN(CCC1)C(=O)C2=CC3=C(C=C2)OCO3 |
Product Overview
Azocan-1-yl(1,3-benzodioxol-5-yl)methanone (CAS 851898-94-7), with molecular formula C15H19NO3 and molecular weight 261.14 g/mol. IUPAC: azocan-1-yl(1,3-benzodioxol-5-yl)methanone.
Chemical Property Profile of Azocan-1-yl(1,3-benzodioxol-5-yl)methanone
Property Insights of Azocan-1-yl(1,3-benzodioxol-5-yl)methanone
The XLogP value of 2.8216 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Azocan-1-yl(1,3-benzodioxol-5-yl)methanone. With a topological polar surface area (TPSA) of 38.77 Ų, Azocan-1-yl(1,3-benzodioxol-5-yl)methanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Azocan-1-yl(1,3-benzodioxol-5-yl)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 Azocan-1-yl(1,3-benzodioxol-5-yl)methanone?
The CAS number of Azocan-1-yl(1,3-benzodioxol-5-yl)methanone is 851898-94-7.
What is the molecular formula of Azocan-1-yl(1,3-benzodioxol-5-yl)methanone?
The molecular formula of Azocan-1-yl(1,3-benzodioxol-5-yl)methanone is C15H19NO3.
What is the molecular weight of Azocan-1-yl(1,3-benzodioxol-5-yl)methanone?
The molecular weight of Azocan-1-yl(1,3-benzodioxol-5-yl)methanone is 261.14 g/mol.
Where can I buy Azocan-1-yl(1,3-benzodioxol-5-yl)methanone?
You can request a quote for Azocan-1-yl(1,3-benzodioxol-5-yl)methanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Azocan-1-yl(1,3-benzodioxol-5-yl)methanone?
Yes, KEHONG BIO provides custom synthesis services for Azocan-1-yl(1,3-benzodioxol-5-yl)methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.