BAS 00757608
TL;DR: BAS 00757608 (CAS 333340-34-4) is a chemical compound with molecular formula C20H15ClN2O3S3 and molecular weight 461.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-chloro-3-nitrophenyl)-(4,4,8-trimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)methanone
Also Known As: BAS 00757608, (4-chloro-3-nitrophenyl)(4,4,8-trimethyl-1-thioxo-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)methanone, (4-chloro-3-nitrophenyl)(4,4,8-trimethyl-1-thioxo-1H-[1,2]dithiolo[3,4-c]quinolin-5(4H)-yl)methanone, (4-chloro-3-nitrophenyl)-(4,4,8-trimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)methanone, 4-chloro-3-nitrophenyl 4,4,8-trimethyl-1-thioxo(4,5-dihydro-1,2-dithioleno[5,4 -c]quinolin-5-yl) ketone
| Molecular Formula | C20H15ClN2O3S3 |
|---|---|
| Molecular Weight | 461.99 g/mol |
| LogP | 6.97161 |
| Topological Polar Surface Area | 63.45 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 461.99335 |
| Heavy Atoms | 29 |
| Complexity | 1246.0087 |
Chemical Identifiers
| CAS Number | 333340-34-4 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)N(C(C3=C2C(=S)SS3)(C)C)C(=O)C4=CC(=C(C=C4)Cl)[N+](=O)[O-] |
Product Overview
BAS 00757608 (CAS 333340-34-4), with molecular formula C20H15ClN2O3S3 and molecular weight 461.99 g/mol. IUPAC: (4-chloro-3-nitrophenyl)-(4,4,8-trimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)methanone.
Chemical Property Profile of BAS 00757608
Property Insights of BAS 00757608
The XLogP value of 6.97161 indicates that BAS 00757608 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.45 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00757608. Following Lipinski's Rule of Five, BAS 00757608 has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00757608?
The CAS number of BAS 00757608 is 333340-34-4.
What is the molecular formula of BAS 00757608?
The molecular formula of BAS 00757608 is C20H15ClN2O3S3.
What is the molecular weight of BAS 00757608?
The molecular weight of BAS 00757608 is 461.99 g/mol.
Where can I buy BAS 00757608?
You can request a quote for BAS 00757608 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00757608?
Yes, KEHONG BIO provides custom synthesis services for BAS 00757608 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.