ChemDiv3_004225
TL;DR: ChemDiv3_004225 (CAS 488087-48-5) is a chemical compound with molecular formula C22H24N2OS2 and molecular weight 396.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-oxoethyl] piperidine-1-carbodithioate
Also Known As: ChemDiv3_004225, BAS 04914262, IDI1_022135, 2-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-2-oxoethyl piperidine-1-carbodithioate, BRD-K40866716-001-01-4
| Molecular Formula | C22H24N2OS2 |
|---|---|
| Molecular Weight | 396.13 g/mol |
| LogP | 4.9539 |
| Topological Polar Surface Area | 23.55 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 396.133 |
| Heavy Atoms | 27 |
| Complexity | 798.21136 |
Chemical Identifiers
| CAS Number | 488087-48-5 |
|---|---|
| SMILES | C1CCN(CC1)C(=S)SCC(=O)N2C3=CC=CC=C3CCC4=CC=CC=C42 |
Product Overview
ChemDiv3_004225 (CAS 488087-48-5), with molecular formula C22H24N2OS2 and molecular weight 396.13 g/mol. IUPAC: [2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-oxoethyl] piperidine-1-carbodithioate.
Chemical Property Profile of ChemDiv3_004225
Property Insights of ChemDiv3_004225
The XLogP value of 4.9539 indicates that ChemDiv3_004225 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.55 Ų, ChemDiv3_004225 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv3_004225 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 ChemDiv3_004225?
The CAS number of ChemDiv3_004225 is 488087-48-5.
What is the molecular formula of ChemDiv3_004225?
The molecular formula of ChemDiv3_004225 is C22H24N2OS2.
What is the molecular weight of ChemDiv3_004225?
The molecular weight of ChemDiv3_004225 is 396.13 g/mol.
Where can I buy ChemDiv3_004225?
You can request a quote for ChemDiv3_004225 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_004225?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_004225 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.