BAS 00721914
TL;DR: BAS 00721914 (CAS 327168-94-5) is a chemical compound with molecular formula C27H20N2O4S3 and molecular weight 532.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(8-methoxy-4,4-dimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)-2-oxoethyl]benzo[de]isoquinoline-1,3-dione
Also Known As: BAS 00721914, 2-[2-(8-methoxy-4,4-dimethyl-1-thioxo-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)-2-oxoethyl]-1H-benzo[de]isoquinoline-1,3(2H)-dione, 2-[2-(8-methoxy-4,4-dimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)-2-oxoethyl]benzo[de]isoquinoline-1,3-dione, 2-(2-(8-methoxy-4,4-dimethyl-1-thioxo-1H-[1,2]dithiolo[3,4-c]quinolin-5(4H)-yl)-2-oxoethyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione
| Molecular Formula | C27H20N2O4S3 |
|---|---|
| Molecular Weight | 532.06 g/mol |
| LogP | 6.24579 |
| Topological Polar Surface Area | 66.92 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 532.05853 |
| Heavy Atoms | 36 |
| Complexity | 1633.3428 |
Chemical Identifiers
| CAS Number | 327168-94-5 |
|---|---|
| SMILES | CC1(C2=C(C3=C(N1C(=O)CN4C(=O)C5=CC=CC6=C5C(=CC=C6)C4=O)C=CC(=C3)OC)C(=S)SS2)C |
Product Overview
BAS 00721914 (CAS 327168-94-5), with molecular formula C27H20N2O4S3 and molecular weight 532.06 g/mol. IUPAC: 2-[2-(8-methoxy-4,4-dimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)-2-oxoethyl]benzo[de]isoquinoline-1,3-dione.
Chemical Property Profile of BAS 00721914
Property Insights of BAS 00721914
The XLogP value of 6.24579 indicates that BAS 00721914 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.92 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00721914. Following Lipinski's Rule of Five, BAS 00721914 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 00721914?
The CAS number of BAS 00721914 is 327168-94-5.
What is the molecular formula of BAS 00721914?
The molecular formula of BAS 00721914 is C27H20N2O4S3.
What is the molecular weight of BAS 00721914?
The molecular weight of BAS 00721914 is 532.06 g/mol.
Where can I buy BAS 00721914?
You can request a quote for BAS 00721914 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00721914?
Yes, KEHONG BIO provides custom synthesis services for BAS 00721914 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.