1-(4-Fluorobenzoyl)-2-oxoazepan-3-yl diethylcarbamodithioate
TL;DR: 1-(4-Fluorobenzoyl)-2-oxoazepan-3-yl diethylcarbamodithioate (CAS 315693-12-0) is a chemical compound with molecular formula C18H23FN2O2S2 and molecular weight 382.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1-(4-fluorobenzoyl)-2-oxoazepan-3-yl] N,N-diethylcarbamodithioate
Also Known As: IFLab1_004205, 1-(4-fluorobenzoyl)-2-oxoazepan-3-yl diethylcarbamodithioate, [1-(4-fluorobenzoyl)-2-oxoazepan-3-yl] N,N-diethylcarbamodithioate, F0863-0452, N,N-DIETHYL-1-{[1-(4-FLUOROBENZOYL)-2-OXOAZEPAN-3-YL]SULFANYL}METHANETHIOAMIDE
| Molecular Formula | C18H23FN2O2S2 |
|---|---|
| Molecular Weight | 382.12 g/mol |
| LogP | 3.7069 |
| Topological Polar Surface Area | 40.62 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 382.1185 |
| Heavy Atoms | 25 |
| Complexity | 632.46814 |
Chemical Identifiers
| CAS Number | 315693-12-0 |
|---|---|
| SMILES | CCN(CC)C(=S)SC1CCCCN(C1=O)C(=O)C2=CC=C(C=C2)F |
Product Overview
1-(4-Fluorobenzoyl)-2-oxoazepan-3-yl diethylcarbamodithioate (CAS 315693-12-0), with molecular formula C18H23FN2O2S2 and molecular weight 382.12 g/mol. IUPAC: [1-(4-fluorobenzoyl)-2-oxoazepan-3-yl] N,N-diethylcarbamodithioate.
Chemical Property Profile of 1-(4-Fluorobenzoyl)-2-oxoazepan-3-yl diethylcarbamodithioate
Property Insights of 1-(4-Fluorobenzoyl)-2-oxoazepan-3-yl diethylcarbamodithioate
The XLogP value of 3.7069 indicates that 1-(4-Fluorobenzoyl)-2-oxoazepan-3-yl diethylcarbamodithioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.62 Ų, 1-(4-Fluorobenzoyl)-2-oxoazepan-3-yl diethylcarbamodithioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-Fluorobenzoyl)-2-oxoazepan-3-yl diethylcarbamodithioate has 0 hydrogen bond donor(s) and 4 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-(4-Fluorobenzoyl)-2-oxoazepan-3-yl diethylcarbamodithioate?
The CAS number of 1-(4-Fluorobenzoyl)-2-oxoazepan-3-yl diethylcarbamodithioate is 315693-12-0.
What is the molecular formula of 1-(4-Fluorobenzoyl)-2-oxoazepan-3-yl diethylcarbamodithioate?
The molecular formula of 1-(4-Fluorobenzoyl)-2-oxoazepan-3-yl diethylcarbamodithioate is C18H23FN2O2S2.
What is the molecular weight of 1-(4-Fluorobenzoyl)-2-oxoazepan-3-yl diethylcarbamodithioate?
The molecular weight of 1-(4-Fluorobenzoyl)-2-oxoazepan-3-yl diethylcarbamodithioate is 382.12 g/mol.
Where can I buy 1-(4-Fluorobenzoyl)-2-oxoazepan-3-yl diethylcarbamodithioate?
You can request a quote for 1-(4-Fluorobenzoyl)-2-oxoazepan-3-yl diethylcarbamodithioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Fluorobenzoyl)-2-oxoazepan-3-yl diethylcarbamodithioate?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Fluorobenzoyl)-2-oxoazepan-3-yl diethylcarbamodithioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.