BAS 00069049
TL;DR: BAS 00069049 (CAS 299970-31-3) is a chemical compound with molecular formula C20H16FNOS3 and molecular weight 401.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-fluorophenyl)-(4,4,7-trimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)methanone
Also Known As: BAS 00069049, 5-(4-fluorobenzoyl)-4,4,7-trimethyl-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinoline-1-thione, UPCMLD0ENAT0500-4300:001, (4-fluorophenyl)-(4,4,7-trimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)methanone, (4-fluorophenyl)(4,4,7-trimethyl-1-thioxo-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)methanone
| Molecular Formula | C20H16FNOS3 |
|---|---|
| Molecular Weight | 401.04 g/mol |
| LogP | 6.54911 |
| Topological Polar Surface Area | 20.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 401.0378 |
| Heavy Atoms | 26 |
| Complexity | 1079.1809 |
Chemical Identifiers
| CAS Number | 299970-31-3 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)C3=C(C(N2C(=O)C4=CC=C(C=C4)F)(C)C)SSC3=S |
Product Overview
BAS 00069049 (CAS 299970-31-3), with molecular formula C20H16FNOS3 and molecular weight 401.04 g/mol. IUPAC: (4-fluorophenyl)-(4,4,7-trimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)methanone.
Chemical Property Profile of BAS 00069049
Property Insights of BAS 00069049
The XLogP value of 6.54911 indicates that BAS 00069049 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.31 Ų, BAS 00069049 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00069049 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 BAS 00069049?
The CAS number of BAS 00069049 is 299970-31-3.
What is the molecular formula of BAS 00069049?
The molecular formula of BAS 00069049 is C20H16FNOS3.
What is the molecular weight of BAS 00069049?
The molecular weight of BAS 00069049 is 401.04 g/mol.
Where can I buy BAS 00069049?
You can request a quote for BAS 00069049 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00069049?
Yes, KEHONG BIO provides custom synthesis services for BAS 00069049 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.