Azepan-1-yl-(2,4-dimethoxyphenyl)methanone
TL;DR: Azepan-1-yl-(2,4-dimethoxyphenyl)methanone (CAS 333347-36-7) is a chemical compound with molecular formula C15H21NO3 and molecular weight 263.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
azepan-1-yl-(2,4-dimethoxyphenyl)methanone
Also Known As: 1-(2,4-dimethoxybenzoyl)azepane, azepan-1-yl-(2,4-dimethoxyphenyl)methanone, 1-[(2,4-dimethoxyphenyl)carbonyl]azepane, azepan-1-yl(2,4-dimethoxyphenyl)methanone, azaperhydroepinyl 2,4-dimethoxyphenyl ketone
| Molecular Formula | C15H21NO3 |
|---|---|
| Molecular Weight | 263.15 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 38.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 263.15213 |
| Heavy Atoms | 19 |
| Complexity | 287.0 |
Chemical Identifiers
| CAS Number | 333347-36-7 |
|---|---|
| SMILES | COC1=CC(=C(C=C1)C(=O)N2CCCCCC2)OC |
| InChIKey | BDQMBEARDDXGKJ-UHFFFAOYSA-N |
Product Overview
Azepan-1-yl-(2,4-dimethoxyphenyl)methanone (CAS 333347-36-7), with molecular formula C15H21NO3 and molecular weight 263.15 g/mol. IUPAC: azepan-1-yl-(2,4-dimethoxyphenyl)methanone.
Chemical Property Profile of Azepan-1-yl-(2,4-dimethoxyphenyl)methanone
Property Insights of Azepan-1-yl-(2,4-dimethoxyphenyl)methanone
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Azepan-1-yl-(2,4-dimethoxyphenyl)methanone. With a topological polar surface area (TPSA) of 38.8 Ų, Azepan-1-yl-(2,4-dimethoxyphenyl)methanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Azepan-1-yl-(2,4-dimethoxyphenyl)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-(2,4-dimethoxyphenyl)methanone?
The CAS number of Azepan-1-yl-(2,4-dimethoxyphenyl)methanone is 333347-36-7.
What is the molecular formula of Azepan-1-yl-(2,4-dimethoxyphenyl)methanone?
The molecular formula of Azepan-1-yl-(2,4-dimethoxyphenyl)methanone is C15H21NO3.
What is the molecular weight of Azepan-1-yl-(2,4-dimethoxyphenyl)methanone?
The molecular weight of Azepan-1-yl-(2,4-dimethoxyphenyl)methanone is 263.15 g/mol.
Where can I buy Azepan-1-yl-(2,4-dimethoxyphenyl)methanone?
You can request a quote for Azepan-1-yl-(2,4-dimethoxyphenyl)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-(2,4-dimethoxyphenyl)methanone?
Yes, KEHONG BIO provides custom synthesis services for Azepan-1-yl-(2,4-dimethoxyphenyl)methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.