BAS 00861914
TL;DR: BAS 00861914 (CAS 332044-10-7) is a chemical compound with molecular formula C20H16FNO2S3 and molecular weight 417.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-fluorophenyl)-(6-methoxy-4,4-dimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)methanone
Also Known As: BAS 00861914, 5-(3-fluorobenzoyl)-6-methoxy-4,4-dimethyl-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinoline-1-thione, (3-fluorophenyl)-(6-methoxy-4,4-dimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)methanone, (3-fluorophenyl)(6-methoxy-4,4-dimethyl-1-thioxo-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)methanone, (3-fluorophenyl)(6-methoxy-4,4-dimethyl-1-thioxo-1H-[1,2]dithiolo[3,4-c]quinolin-5(4H)-yl)methanone
| Molecular Formula | C20H16FNO2S3 |
|---|---|
| Molecular Weight | 417.03 g/mol |
| LogP | 6.24929 |
| Topological Polar Surface Area | 29.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 417.0327 |
| Heavy Atoms | 27 |
| Complexity | 1116.4098 |
Chemical Identifiers
| CAS Number | 332044-10-7 |
|---|---|
| SMILES | CC1(C2=C(C3=C(N1C(=O)C4=CC(=CC=C4)F)C(=CC=C3)OC)C(=S)SS2)C |
Product Overview
BAS 00861914 (CAS 332044-10-7), with molecular formula C20H16FNO2S3 and molecular weight 417.03 g/mol. IUPAC: (3-fluorophenyl)-(6-methoxy-4,4-dimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)methanone.
Chemical Property Profile of BAS 00861914
Property Insights of BAS 00861914
The XLogP value of 6.24929 indicates that BAS 00861914 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.54 Ų, BAS 00861914 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00861914 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 BAS 00861914?
The CAS number of BAS 00861914 is 332044-10-7.
What is the molecular formula of BAS 00861914?
The molecular formula of BAS 00861914 is C20H16FNO2S3.
What is the molecular weight of BAS 00861914?
The molecular weight of BAS 00861914 is 417.03 g/mol.
Where can I buy BAS 00861914?
You can request a quote for BAS 00861914 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00861914?
Yes, KEHONG BIO provides custom synthesis services for BAS 00861914 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.