BAS 00315514
TL;DR: BAS 00315514 (CAS 306737-48-4) 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)-(4-fluorophenyl)methanone
Also Known As: BAS 00315514, (6-Ethoxy-4,4-dimethyl-1-thioxo-1,4-dihydro-2,3-dithia-5-aza-cyclopenta[a]naphthalen-5-yl)-(4-fluoro-phenyl)-methanone, (6-ethoxy-4,4-dimethyl-1-thioxo-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)(4-fluorophenyl)methanone, (6-ethoxy-4,4-dimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)-(4-fluorophenyl)methanone, (6-ethoxy-4,4-dimethyl-1-thioxo-1H-[1,2]dithiolo[3,4-c]quinolin-5(4H)-yl)(4-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 | 1115.4246 |
Chemical Identifiers
| CAS Number | 306737-48-4 |
|---|---|
| SMILES | CCOC1=CC=CC2=C1N(C(C3=C2C(=S)SS3)(C)C)C(=O)C4=CC=C(C=C4)F |
Product Overview
BAS 00315514 (CAS 306737-48-4), 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)-(4-fluorophenyl)methanone.
Chemical Property Profile of BAS 00315514
Property Insights of BAS 00315514
The XLogP value of 6.63939 indicates that BAS 00315514 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 00315514 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00315514 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 00315514?
The CAS number of BAS 00315514 is 306737-48-4.
What is the molecular formula of BAS 00315514?
The molecular formula of BAS 00315514 is C21H18FNO2S3.
What is the molecular weight of BAS 00315514?
The molecular weight of BAS 00315514 is 431.05 g/mol.
Where can I buy BAS 00315514?
You can request a quote for BAS 00315514 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00315514?
Yes, KEHONG BIO provides custom synthesis services for BAS 00315514 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.