BAS 00757617
TL;DR: BAS 00757617 (CAS 333340-38-8) is a chemical compound with molecular formula C22H18N2O4S3 and molecular weight 470.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-1-(8-methoxy-4,4-dimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)-3-(4-nitrophenyl)prop-2-en-1-one
Also Known As: BAS 00757617, (2E)-1-(8-methoxy-4,4-dimethyl-1-thioxo(4,5-dihydro-1,2-dithioleno[5,4-c]quino lin-5-yl))-3-(4-nitrophenyl)prop-2-en-1-one, (2E)-1-(8-methoxy-4,4-dimethyl-1-thioxo-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)-3-(4-nitrophenyl)prop-2-en-1-one, (E)-1-(8-methoxy-4,4-dimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)-3-(4-nitrophenyl)prop-2-en-1-one, (E)-1-(8-methoxy-4,4-dimethyl-1-thioxo-1H-[1,2]dithiolo[3,4-c]quinolin-5(4H)-yl)-3-(4-nitrophenyl)prop-2-en-1-one
| Molecular Formula | C22H18N2O4S3 |
|---|---|
| Molecular Weight | 470.04 g/mol |
| LogP | 6.41799 |
| Topological Polar Surface Area | 72.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 470.04288 |
| Heavy Atoms | 31 |
| Complexity | 1272.6533 |
Chemical Identifiers
| CAS Number | 333340-38-8 |
|---|---|
| SMILES | CC1(C2=C(C3=C(N1C(=O)/C=C/C4=CC=C(C=C4)[N+](=O)[O-])C=CC(=C3)OC)C(=S)SS2)C |
Product Overview
BAS 00757617 (CAS 333340-38-8), with molecular formula C22H18N2O4S3 and molecular weight 470.04 g/mol. IUPAC: (E)-1-(8-methoxy-4,4-dimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)-3-(4-nitrophenyl)prop-2-en-1-one.
Chemical Property Profile of BAS 00757617
Property Insights of BAS 00757617
The XLogP value of 6.41799 indicates that BAS 00757617 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.68 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00757617. Following Lipinski's Rule of Five, BAS 00757617 has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00757617?
The CAS number of BAS 00757617 is 333340-38-8.
What is the molecular formula of BAS 00757617?
The molecular formula of BAS 00757617 is C22H18N2O4S3.
What is the molecular weight of BAS 00757617?
The molecular weight of BAS 00757617 is 470.04 g/mol.
Where can I buy BAS 00757617?
You can request a quote for BAS 00757617 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00757617?
Yes, KEHONG BIO provides custom synthesis services for BAS 00757617 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.