BAS 00385648
TL;DR: BAS 00385648 (CAS 331661-35-9) is a chemical compound with molecular formula C20H18ClFN2OS2 and molecular weight 420.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-chloro-4-fluorophenyl)-8-ethoxy-4,4-dimethyl-5H-dithiolo[3,4-c]quinolin-1-imine
Also Known As: BAS 00385648, N-(3-chloro-4-fluorophenyl)-8-ethoxy-4,4-dimethyl-5H-dithiolo[3,4-c]quinolin-1-imine, (Z)-3-chloro-N-(8-ethoxy-4,4-dimethyl-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinolin-1-ylidene)-4-fluoroaniline, 1-[(3-chloro-4-fluorophenyl)azamethylene]-8-ethoxy-4,4-dimethyl-4,5-dihydro-1, 2-dithioleno[5,4-c]quinoline, 3-chloro-N-[(1Z)-8-ethoxy-4,4-dimethyl-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinolin-1-ylidene]-4-fluoroaniline
| Molecular Formula | C20H18ClFN2OS2 |
|---|---|
| Molecular Weight | 420.05 g/mol |
| LogP | 6.5608 |
| Topological Polar Surface Area | 33.62 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 420.0533 |
| Heavy Atoms | 27 |
| Complexity | 1087.826 |
Chemical Identifiers
| CAS Number | 331661-35-9 |
|---|---|
| SMILES | CCOC1=CC2=C(C=C1)NC(C3=C2C(=NC4=CC(=C(C=C4)F)Cl)SS3)(C)C |
Product Overview
BAS 00385648 (CAS 331661-35-9), with molecular formula C20H18ClFN2OS2 and molecular weight 420.05 g/mol. IUPAC: N-(3-chloro-4-fluorophenyl)-8-ethoxy-4,4-dimethyl-5H-dithiolo[3,4-c]quinolin-1-imine.
Chemical Property Profile of BAS 00385648
Property Insights of BAS 00385648
The XLogP value of 6.5608 indicates that BAS 00385648 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 33.62 Ų, BAS 00385648 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00385648 has 1 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 BAS 00385648?
The CAS number of BAS 00385648 is 331661-35-9.
What is the molecular formula of BAS 00385648?
The molecular formula of BAS 00385648 is C20H18ClFN2OS2.
What is the molecular weight of BAS 00385648?
The molecular weight of BAS 00385648 is 420.05 g/mol.
Where can I buy BAS 00385648?
You can request a quote for BAS 00385648 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00385648?
Yes, KEHONG BIO provides custom synthesis services for BAS 00385648 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.