ChemDiv1_023651
TL;DR: ChemDiv1_023651 (CAS 375832-29-4) is a chemical compound with molecular formula C21H25N3O2S3 and molecular weight 447.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2-oxo-2-(4,4,8-trimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)ethyl]piperidine-4-carboxamide
Also Known As: ChemDiv1_023651, BAS 02799482, 1-[2-oxo-2-(4,4,8-trimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)ethyl]piperidine-4-carboxamide, 1-[2-oxo-2-(4,4,8-trimethyl-1-thioxo-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)ethyl]piperidine-4-carboxamide, 1-(2-oxo-2-(4,4,8-trimethyl-1-thioxo-1H-[1,2]dithiolo[3,4-c]quinolin-5(4H)-yl)ethyl)piperidine-4-carboxamide
| Molecular Formula | C21H25N3O2S3 |
|---|---|
| Molecular Weight | 447.11 g/mol |
| LogP | 4.29351 |
| Topological Polar Surface Area | 66.64 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 447.1109 |
| Heavy Atoms | 29 |
| Complexity | 1032.0326 |
Chemical Identifiers
| CAS Number | 375832-29-4 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)N(C(C3=C2C(=S)SS3)(C)C)C(=O)CN4CCC(CC4)C(=O)N |
Product Overview
ChemDiv1_023651 (CAS 375832-29-4), with molecular formula C21H25N3O2S3 and molecular weight 447.11 g/mol. IUPAC: 1-[2-oxo-2-(4,4,8-trimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)ethyl]piperidine-4-carboxamide.
Chemical Property Profile of ChemDiv1_023651
Property Insights of ChemDiv1_023651
The XLogP value of 4.29351 indicates that ChemDiv1_023651 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.64 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_023651. Following Lipinski's Rule of Five, ChemDiv1_023651 has 1 hydrogen bond donor(s) and 6 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 ChemDiv1_023651?
The CAS number of ChemDiv1_023651 is 375832-29-4.
What is the molecular formula of ChemDiv1_023651?
The molecular formula of ChemDiv1_023651 is C21H25N3O2S3.
What is the molecular weight of ChemDiv1_023651?
The molecular weight of ChemDiv1_023651 is 447.11 g/mol.
Where can I buy ChemDiv1_023651?
You can request a quote for ChemDiv1_023651 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_023651?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_023651 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.