ChemDiv1_022775
TL;DR: ChemDiv1_022775 (CAS 309736-86-5) is a chemical compound with molecular formula C21H26N2OS3 and molecular weight 418.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-piperidin-1-yl-1-(4,4,6,8-tetramethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)ethanone
Also Known As: ChemDiv1_022775, DivK1c_004039, CDS1_002999, BAS 01095183, 2-(piperidin-1-yl)-1-(4,4,6,8-tetramethyl-1-thioxo-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)ethanone
| Molecular Formula | C21H26N2OS3 |
|---|---|
| Molecular Weight | 418.12 g/mol |
| LogP | 5.89053 |
| Topological Polar Surface Area | 23.55 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 418.12073 |
| Heavy Atoms | 27 |
| Complexity | 950.8217 |
Chemical Identifiers
| CAS Number | 309736-86-5 |
|---|---|
| SMILES | CC1=CC(=C2C(=C1)C3=C(C(N2C(=O)CN4CCCCC4)(C)C)SSC3=S)C |
Product Overview
ChemDiv1_022775 (CAS 309736-86-5), with molecular formula C21H26N2OS3 and molecular weight 418.12 g/mol. IUPAC: 2-piperidin-1-yl-1-(4,4,6,8-tetramethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)ethanone.
Chemical Property Profile of ChemDiv1_022775
Property Insights of ChemDiv1_022775
The XLogP value of 5.89053 indicates that ChemDiv1_022775 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.55 Ų, ChemDiv1_022775 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_022775 has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_022775?
The CAS number of ChemDiv1_022775 is 309736-86-5.
What is the molecular formula of ChemDiv1_022775?
The molecular formula of ChemDiv1_022775 is C21H26N2OS3.
What is the molecular weight of ChemDiv1_022775?
The molecular weight of ChemDiv1_022775 is 418.12 g/mol.
Where can I buy ChemDiv1_022775?
You can request a quote for ChemDiv1_022775 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_022775?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_022775 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.