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5-benzyl-N-(3-chlorophenyl)-4,4,8-trimethyldithiolo[3,4-c]quinolin-1-imine
TL;DR: 5-benzyl-N-(3-chlorophenyl)-4,4,8-trimethyldithiolo[3,4-c]quinolin-1-imine (CAS 511513-84-1) is a chemical compound with molecular formula C26H23ClN2S2 and molecular weight 462.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-benzyl-N-(3-chlorophenyl)-4,4,8-trimethyldithiolo[3,4-c]quinolin-1-imine
Also Known As: 5-benzyl-N-(3-chlorophenyl)-4,4,8-trimethyldithiolo[3,4-c]quinolin-1-imine, (1E)-5-BENZYL-N-(3-CHLOROPHENYL)-4,4,8-TRIMETHYL-1H,4H,5H-[1,2]DITHIOLO[3,4-C]QUINOLIN-1-IMINE, (1Z)-5-Benzyl-N-(3-chlorophenyl)-4,4,8-trimethyl-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinolin-1-imine, (E)-N-(5-benzyl-4,4,8-trimethyl-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinolin-1-ylidene)-3-chloroaniline, N-[(1E)-5-benzyl-4,4,8-trimethyl-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinolin-1-ylidene]-3-chloroaniline
| Molecular Formula | C26H23ClN2S2 |
|---|---|
| Molecular Weight | 462.10 g/mol |
| LogP | 7.92612 |
| Topological Polar Surface Area | 15.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 462.09912 |
| Heavy Atoms | 31 |
| Complexity | 1318.7488 |
Chemical Identifiers
| CAS Number | 511513-84-1 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)N(C(C3=C2C(=NC4=CC(=CC=C4)Cl)SS3)(C)C)CC5=CC=CC=C5 |
Product Overview
5-benzyl-N-(3-chlorophenyl)-4,4,8-trimethyldithiolo[3,4-c]quinolin-1-imine (CAS 511513-84-1), with molecular formula C26H23ClN2S2 and molecular weight 462.10 g/mol. IUPAC: 5-benzyl-N-(3-chlorophenyl)-4,4,8-trimethyldithiolo[3,4-c]quinolin-1-imine.
Chemical Property Profile of 5-benzyl-N-(3-chlorophenyl)-4,4,8-trimethyldithiolo[3,4-c]quinolin-1-imine
Property Insights of 5-benzyl-N-(3-chlorophenyl)-4,4,8-trimethyldithiolo[3,4-c]quinolin-1-imine
The XLogP value of 7.92612 indicates that 5-benzyl-N-(3-chlorophenyl)-4,4,8-trimethyldithiolo[3,4-c]quinolin-1-imine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 15.6 Ų, 5-benzyl-N-(3-chlorophenyl)-4,4,8-trimethyldithiolo[3,4-c]quinolin-1-imine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-benzyl-N-(3-chlorophenyl)-4,4,8-trimethyldithiolo[3,4-c]quinolin-1-imine has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-benzyl-N-(3-chlorophenyl)-4,4,8-trimethyldithiolo[3,4-c]quinolin-1-imine?
The CAS number of 5-benzyl-N-(3-chlorophenyl)-4,4,8-trimethyldithiolo[3,4-c]quinolin-1-imine is 511513-84-1.
What is the molecular formula of 5-benzyl-N-(3-chlorophenyl)-4,4,8-trimethyldithiolo[3,4-c]quinolin-1-imine?
The molecular formula of 5-benzyl-N-(3-chlorophenyl)-4,4,8-trimethyldithiolo[3,4-c]quinolin-1-imine is C26H23ClN2S2.
What is the molecular weight of 5-benzyl-N-(3-chlorophenyl)-4,4,8-trimethyldithiolo[3,4-c]quinolin-1-imine?
The molecular weight of 5-benzyl-N-(3-chlorophenyl)-4,4,8-trimethyldithiolo[3,4-c]quinolin-1-imine is 462.10 g/mol.
Where can I buy 5-benzyl-N-(3-chlorophenyl)-4,4,8-trimethyldithiolo[3,4-c]quinolin-1-imine?
You can request a quote for 5-benzyl-N-(3-chlorophenyl)-4,4,8-trimethyldithiolo[3,4-c]quinolin-1-imine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-benzyl-N-(3-chlorophenyl)-4,4,8-trimethyldithiolo[3,4-c]quinolin-1-imine?
Yes, KEHONG BIO provides custom synthesis services for 5-benzyl-N-(3-chlorophenyl)-4,4,8-trimethyldithiolo[3,4-c]quinolin-1-imine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.