1-(2,3,6-Trichlorobenzoyl)azepane
TL;DR: 1-(2,3,6-Trichlorobenzoyl)azepane (CAS 302576-11-0) is a chemical compound with molecular formula C13H14Cl3NO and molecular weight 305.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
azepan-1-yl-(2,3,6-trichlorophenyl)methanone
Also Known As: 1-(2,3,6-trichlorobenzoyl)azepane, azepan-1-yl-(2,3,6-trichlorophenyl)methanone, azepan-1-yl(2,3,6-trichlorophenyl)methanone, azaperhydroepinyl 2,3,6-trichlorophenyl ketone, AF-399/13426003
| Molecular Formula | C13H14Cl3NO |
|---|---|
| Molecular Weight | 305.01 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 20.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 305.0141 |
| Heavy Atoms | 18 |
| Complexity | 292.0 |
Chemical Identifiers
| CAS Number | 302576-11-0 |
|---|---|
| SMILES | C1CCCN(CC1)C(=O)C2=C(C=CC(=C2Cl)Cl)Cl |
| InChIKey | KVGCJWLPRWGFMK-UHFFFAOYSA-N |
Product Overview
1-(2,3,6-Trichlorobenzoyl)azepane (CAS 302576-11-0), with molecular formula C13H14Cl3NO and molecular weight 305.01 g/mol. IUPAC: azepan-1-yl-(2,3,6-trichlorophenyl)methanone.
Chemical Property Profile of 1-(2,3,6-Trichlorobenzoyl)azepane
Property Insights of 1-(2,3,6-Trichlorobenzoyl)azepane
The XLogP value of 4.5 indicates that 1-(2,3,6-Trichlorobenzoyl)azepane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.3 Ų, 1-(2,3,6-Trichlorobenzoyl)azepane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2,3,6-Trichlorobenzoyl)azepane has 0 hydrogen bond donor(s) and 1 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 1-(2,3,6-Trichlorobenzoyl)azepane?
The CAS number of 1-(2,3,6-Trichlorobenzoyl)azepane is 302576-11-0.
What is the molecular formula of 1-(2,3,6-Trichlorobenzoyl)azepane?
The molecular formula of 1-(2,3,6-Trichlorobenzoyl)azepane is C13H14Cl3NO.
What is the molecular weight of 1-(2,3,6-Trichlorobenzoyl)azepane?
The molecular weight of 1-(2,3,6-Trichlorobenzoyl)azepane is 305.01 g/mol.
Where can I buy 1-(2,3,6-Trichlorobenzoyl)azepane?
You can request a quote for 1-(2,3,6-Trichlorobenzoyl)azepane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2,3,6-Trichlorobenzoyl)azepane?
Yes, KEHONG BIO provides custom synthesis services for 1-(2,3,6-Trichlorobenzoyl)azepane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.