BAS 00126834
TL;DR: BAS 00126834 (CAS 296272-34-9) is a chemical compound with molecular formula C21H19NO2S3 and molecular weight 413.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(8-methoxy-4,4-dimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)-2-phenylethanone
Also Known As: BAS 00126834, UPCMLD0ENAT0400-0609:001, 1-(8-methoxy-4,4-dimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)-2-phenylethanone, 1-(8-Methoxy-4,4-dimethyl-1-sulfanylidene-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)-2-phenylethan-1-one, 1-(8-methoxy-4,4-dimethyl-1-thioxo(4,5-dihydro-1,2-dithioleno[5,4-c]quinolin-5 -yl))-2-phenylethan-1-one
| Molecular Formula | C21H19NO2S3 |
|---|---|
| Molecular Weight | 413.06 g/mol |
| LogP | 6.03909 |
| Topological Polar Surface Area | 29.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 413.0578 |
| Heavy Atoms | 27 |
| Complexity | 1066.5308 |
Chemical Identifiers
| CAS Number | 296272-34-9 |
|---|---|
| SMILES | CC1(C2=C(C3=C(N1C(=O)CC4=CC=CC=C4)C=CC(=C3)OC)C(=S)SS2)C |
Product Overview
BAS 00126834 (CAS 296272-34-9), with molecular formula C21H19NO2S3 and molecular weight 413.06 g/mol. IUPAC: 1-(8-methoxy-4,4-dimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)-2-phenylethanone.
Chemical Property Profile of BAS 00126834
Property Insights of BAS 00126834
The XLogP value of 6.03909 indicates that BAS 00126834 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 00126834 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00126834 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 00126834?
The CAS number of BAS 00126834 is 296272-34-9.
What is the molecular formula of BAS 00126834?
The molecular formula of BAS 00126834 is C21H19NO2S3.
What is the molecular weight of BAS 00126834?
The molecular weight of BAS 00126834 is 413.06 g/mol.
Where can I buy BAS 00126834?
You can request a quote for BAS 00126834 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00126834?
Yes, KEHONG BIO provides custom synthesis services for BAS 00126834 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.