BAS 00108073
TL;DR: BAS 00108073 (CAS 300802-06-6) is a chemical compound with molecular formula C22H19NOS3 and molecular weight 409.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-phenyl-1-(4,4,6-trimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)prop-2-en-1-one
Also Known As: BAS 00108073, (E)-3-phenyl-1-(4,4,6-trimethyl-1-thioxo-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)-2-propen-1-one, (2E)-3-phenyl-1-(4,4,6-trimethyl-1-thioxo-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)prop-2-en-1-one, (E)-3-phenyl-1-(4,4,6-trimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)prop-2-en-1-one, (E)-3-phenyl-1-(4,4,6-trimethyl-1-thioxo-1H-[1,2]dithiolo[3,4-c]quinolin-5(4H)-yl)prop-2-en-1-one
| Molecular Formula | C22H19NOS3 |
|---|---|
| Molecular Weight | 409.06 g/mol |
| LogP | 6.80961 |
| Topological Polar Surface Area | 20.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 409.06287 |
| Heavy Atoms | 27 |
| Complexity | 1106.0867 |
Chemical Identifiers
| CAS Number | 300802-06-6 |
|---|---|
| SMILES | CC1=C2C(=CC=C1)C3=C(C(N2C(=O)/C=C/C4=CC=CC=C4)(C)C)SSC3=S |
Product Overview
BAS 00108073 (CAS 300802-06-6), with molecular formula C22H19NOS3 and molecular weight 409.06 g/mol. IUPAC: (E)-3-phenyl-1-(4,4,6-trimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)prop-2-en-1-one.
Chemical Property Profile of BAS 00108073
Property Insights of BAS 00108073
The XLogP value of 6.80961 indicates that BAS 00108073 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 00108073 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00108073 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 00108073?
The CAS number of BAS 00108073 is 300802-06-6.
What is the molecular formula of BAS 00108073?
The molecular formula of BAS 00108073 is C22H19NOS3.
What is the molecular weight of BAS 00108073?
The molecular weight of BAS 00108073 is 409.06 g/mol.
Where can I buy BAS 00108073?
You can request a quote for BAS 00108073 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00108073?
Yes, KEHONG BIO provides custom synthesis services for BAS 00108073 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.