Azepan-1-Yl(1,3-Benzodioxol-5-Yl)Methanone
TL;DR: Azepan-1-Yl(1,3-Benzodioxol-5-Yl)Methanone (CAS 154235-79-7) is a chemical compound with molecular formula C14H17NO3 and molecular weight 247.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
azepan-1-yl(1,3-benzodioxol-5-yl)methanone
Also Known As: 1-(1,3-Dioxaindane-5-carbonyl)azepane, azepan-1-yl(1,3-benzodioxol-5-yl)methanone, Azepan-1-yl(benzo[d][1,3]dioxol-5-yl)methanone, (azepan-1-yl)(2H-1,3-benzodioxol-5-yl)methanone, 1-AZEPANYL(1,3-BENZODIOXOL-5-YL)METHANONE
| Molecular Formula | C14H17NO3 |
|---|---|
| Molecular Weight | 247.12 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 38.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 247.12085 |
| Heavy Atoms | 18 |
| Complexity | 299.0 |
Chemical Identifiers
| CAS Number | 154235-79-7 |
|---|---|
| SMILES | C1CCCN(CC1)C(=O)C2=CC3=C(C=C2)OCO3 |
| InChIKey | ABPXISKFLMGPJG-UHFFFAOYSA-N |
Product Overview
Azepan-1-Yl(1,3-Benzodioxol-5-Yl)Methanone (CAS 154235-79-7), with molecular formula C14H17NO3 and molecular weight 247.12 g/mol. IUPAC: azepan-1-yl(1,3-benzodioxol-5-yl)methanone.
Chemical Property Profile of Azepan-1-Yl(1,3-Benzodioxol-5-Yl)Methanone
Property Insights of Azepan-1-Yl(1,3-Benzodioxol-5-Yl)Methanone
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Azepan-1-Yl(1,3-Benzodioxol-5-Yl)Methanone. With a topological polar surface area (TPSA) of 38.8 Ų, Azepan-1-Yl(1,3-Benzodioxol-5-Yl)Methanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Azepan-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 Azepan-1-Yl(1,3-Benzodioxol-5-Yl)Methanone?
The CAS number of Azepan-1-Yl(1,3-Benzodioxol-5-Yl)Methanone is 154235-79-7.
What is the molecular formula of Azepan-1-Yl(1,3-Benzodioxol-5-Yl)Methanone?
The molecular formula of Azepan-1-Yl(1,3-Benzodioxol-5-Yl)Methanone is C14H17NO3.
What is the molecular weight of Azepan-1-Yl(1,3-Benzodioxol-5-Yl)Methanone?
The molecular weight of Azepan-1-Yl(1,3-Benzodioxol-5-Yl)Methanone is 247.12 g/mol.
Where can I buy Azepan-1-Yl(1,3-Benzodioxol-5-Yl)Methanone?
You can request a quote for Azepan-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 Azepan-1-Yl(1,3-Benzodioxol-5-Yl)Methanone?
Yes, KEHONG BIO provides custom synthesis services for Azepan-1-Yl(1,3-Benzodioxol-5-Yl)Methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.