BAS 00385448
TL;DR: BAS 00385448 (CAS 326173-52-8) is a chemical compound with molecular formula C21H17NOS3 and molecular weight 395.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-1-(4,4-dimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)-3-phenylprop-2-en-1-one
Also Known As: BAS 00385448, (E)-1-(4,4-dimethyl-1-thioxo-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)-3-phenyl-2-propen-1-one, (E)-1-(4,4-dimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)-3-phenylprop-2-en-1-one, (2E)-1-(4,4-dimethyl-1-thioxo(4,5-dihydro-1,2-dithioleno[5,4-c]quinolin-5-yl)) -3-phenylprop-2-en-1-one, (2E)-1-(4,4-dimethyl-1-thioxo-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)-3-phenylprop-2-en-1-one
| Molecular Formula | C21H17NOS3 |
|---|---|
| Molecular Weight | 395.05 g/mol |
| LogP | 6.50119 |
| Topological Polar Surface Area | 20.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 395.04724 |
| Heavy Atoms | 26 |
| Complexity | 1060.1152 |
Chemical Identifiers
| CAS Number | 326173-52-8 |
|---|---|
| SMILES | CC1(C2=C(C3=CC=CC=C3N1C(=O)/C=C/C4=CC=CC=C4)C(=S)SS2)C |
Product Overview
BAS 00385448 (CAS 326173-52-8), with molecular formula C21H17NOS3 and molecular weight 395.05 g/mol. IUPAC: (E)-1-(4,4-dimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)-3-phenylprop-2-en-1-one.
Chemical Property Profile of BAS 00385448
Property Insights of BAS 00385448
The XLogP value of 6.50119 indicates that BAS 00385448 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 00385448 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00385448 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 00385448?
The CAS number of BAS 00385448 is 326173-52-8.
What is the molecular formula of BAS 00385448?
The molecular formula of BAS 00385448 is C21H17NOS3.
What is the molecular weight of BAS 00385448?
The molecular weight of BAS 00385448 is 395.05 g/mol.
Where can I buy BAS 00385448?
You can request a quote for BAS 00385448 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00385448?
Yes, KEHONG BIO provides custom synthesis services for BAS 00385448 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.