ChemDiv1_023695
TL;DR: ChemDiv1_023695 (CAS 335390-49-3) is a chemical compound with molecular formula C21H25N3O3S3 and molecular weight 463.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2-(8-methoxy-4,4-dimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)-2-oxoethyl]piperidine-4-carboxamide
Also Known As: ChemDiv1_023695, BAS 02799483, 1-[2-(8-methoxy-4,4-dimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)-2-oxoethyl]piperidine-4-carboxamide, 1-(2-(8-methoxy-4,4-dimethyl-1-thioxo-1H-[1,2]dithiolo[3,4-c]quinolin-5(4H)-yl)-2-oxoethyl)piperidine-4-carboxamide, 1-(2-{8-METHOXY-4,4-DIMETHYL-1-SULFANYLIDENE-1H,4H,5H-[1,2]DITHIOLO[3,4-C]QUINOLIN-5-YL}-2-OXOETHYL)PIPERIDINE-4-CARBOXAMIDE
| Molecular Formula | C21H25N3O3S3 |
|---|---|
| Molecular Weight | 463.11 g/mol |
| LogP | 3.99369 |
| Topological Polar Surface Area | 75.87 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 463.1058 |
| Heavy Atoms | 30 |
| Complexity | 1051.2515 |
Chemical Identifiers
| CAS Number | 335390-49-3 |
|---|---|
| SMILES | CC1(C2=C(C3=C(N1C(=O)CN4CCC(CC4)C(=O)N)C=CC(=C3)OC)C(=S)SS2)C |
Product Overview
ChemDiv1_023695 (CAS 335390-49-3), with molecular formula C21H25N3O3S3 and molecular weight 463.11 g/mol. IUPAC: 1-[2-(8-methoxy-4,4-dimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)-2-oxoethyl]piperidine-4-carboxamide.
Chemical Property Profile of ChemDiv1_023695
Property Insights of ChemDiv1_023695
The XLogP value of 3.99369 indicates that ChemDiv1_023695 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.87 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_023695. Following Lipinski's Rule of Five, ChemDiv1_023695 has 1 hydrogen bond donor(s) and 7 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_023695?
The CAS number of ChemDiv1_023695 is 335390-49-3.
What is the molecular formula of ChemDiv1_023695?
The molecular formula of ChemDiv1_023695 is C21H25N3O3S3.
What is the molecular weight of ChemDiv1_023695?
The molecular weight of ChemDiv1_023695 is 463.11 g/mol.
Where can I buy ChemDiv1_023695?
You can request a quote for ChemDiv1_023695 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_023695?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_023695 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.