ChemDiv1_023616
TL;DR: ChemDiv1_023616 (CAS 330179-14-1) is a chemical compound with molecular formula C21H18FNO2S3 and molecular weight 431.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6-ethoxy-4,4-dimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)-(3-fluorophenyl)methanone
Also Known As: ChemDiv1_023616, BAS 00861917, BIM-0029250.P001, 6-ethoxy-5-(3-fluorobenzoyl)-4,4-dimethyl-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinoline-1-thione, (6-ethoxy-4,4-dimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)-(3-fluorophenyl)methanone
| Molecular Formula | C21H18FNO2S3 |
|---|---|
| Molecular Weight | 431.05 g/mol |
| LogP | 6.63939 |
| Topological Polar Surface Area | 29.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 431.04837 |
| Heavy Atoms | 28 |
| Complexity | 1132.6746 |
Chemical Identifiers
| CAS Number | 330179-14-1 |
|---|---|
| SMILES | CCOC1=CC=CC2=C1N(C(C3=C2C(=S)SS3)(C)C)C(=O)C4=CC(=CC=C4)F |
Product Overview
ChemDiv1_023616 (CAS 330179-14-1), with molecular formula C21H18FNO2S3 and molecular weight 431.05 g/mol. IUPAC: (6-ethoxy-4,4-dimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)-(3-fluorophenyl)methanone.
Chemical Property Profile of ChemDiv1_023616
Property Insights of ChemDiv1_023616
The XLogP value of 6.63939 indicates that ChemDiv1_023616 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.54 Ų, ChemDiv1_023616 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_023616 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_023616?
The CAS number of ChemDiv1_023616 is 330179-14-1.
What is the molecular formula of ChemDiv1_023616?
The molecular formula of ChemDiv1_023616 is C21H18FNO2S3.
What is the molecular weight of ChemDiv1_023616?
The molecular weight of ChemDiv1_023616 is 431.05 g/mol.
Where can I buy ChemDiv1_023616?
You can request a quote for ChemDiv1_023616 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_023616?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_023616 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.