BAS 00108076
TL;DR: BAS 00108076 (CAS 296272-16-7) is a chemical compound with molecular formula C22H21NOS3 and molecular weight 411.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-phenyl-1-(4,4,6-trimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)propan-1-one
Also Known As: BAS 00108076, 3-phenyl-1-(4,4,6-trimethyl-1-thioxo-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)-1-propanone, 3-phenyl-1-(4,4,6-trimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)propan-1-one, 3-phenyl-1-(4,4,6-trimethyl-1-thioxo(4,5-dihydro-1,2-dithioleno[5,4-c]quinolin -5-yl))propan-1-one, 3-Phenyl-1-(4,4,6-trimethyl-1-thioxo-1,4-dihydro-2,3-dithia-5-aza-cyclopenta[a]naphthalen-5-yl)-propan-1-one
| Molecular Formula | C22H21NOS3 |
|---|---|
| Molecular Weight | 411.08 g/mol |
| LogP | 6.72901 |
| Topological Polar Surface Area | 20.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 411.07852 |
| Heavy Atoms | 27 |
| Complexity | 1062.662 |
Chemical Identifiers
| CAS Number | 296272-16-7 |
|---|---|
| SMILES | CC1=C2C(=CC=C1)C3=C(C(N2C(=O)CCC4=CC=CC=C4)(C)C)SSC3=S |
Product Overview
BAS 00108076 (CAS 296272-16-7), with molecular formula C22H21NOS3 and molecular weight 411.08 g/mol. IUPAC: 3-phenyl-1-(4,4,6-trimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)propan-1-one.
Chemical Property Profile of BAS 00108076
Property Insights of BAS 00108076
The XLogP value of 6.72901 indicates that BAS 00108076 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 00108076 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00108076 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 00108076?
The CAS number of BAS 00108076 is 296272-16-7.
What is the molecular formula of BAS 00108076?
The molecular formula of BAS 00108076 is C22H21NOS3.
What is the molecular weight of BAS 00108076?
The molecular weight of BAS 00108076 is 411.08 g/mol.
Where can I buy BAS 00108076?
You can request a quote for BAS 00108076 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00108076?
Yes, KEHONG BIO provides custom synthesis services for BAS 00108076 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.