![9-[4-(4-chlorophenoxy)phenyl]-2-methoxy-7,7-dimethyl-10-thioxo-9,10-dihydro-7H-isothiazolo[5,4-c]pyrrolo[3,2,1-ij]quinoline-4,5-dione structure](/static/products/6505/650592-67-9.webp)
9-[4-(4-chlorophenoxy)phenyl]-2-methoxy-7,7-dimethyl-10-thioxo-9,10-dihydro-7H-isothiazolo[5,4-c]pyrrolo[3,2,1-ij]quinoline-4,5-dione
TL;DR: 9-[4-(4-chlorophenoxy)phenyl]-2-methoxy-7,7-dimethyl-10-thioxo-9,10-dihydro-7H-isothiazolo[5,4-c]pyrrolo[3,2,1-ij]quinoline-4,5-dione (CAS 650592-67-9) is a chemical compound with molecular formula C27H19ClN2O4S2 and molecular weight 534.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[4-(4-chlorophenoxy)phenyl]-13-methoxy-7,7-dimethyl-3-sulfanylidene-5-thia-4,8-diazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2(6),11,13-tetraene-9,10-dione
Also Known As: 9-[4-(4-chlorophenoxy)phenyl]-2-methoxy-7,7-dimethyl-10-thioxo-9,10-dihydro-7H-isothiazolo[5,4-c]pyrrolo[3,2,1-ij]quinoline-4,5-dione, 9-[4-(4-chlorophenoxy)phenyl]-2-methoxy-7,7-dimethyl-10-thioxo-9,10-dihydro-7H-pyrrolo[3,2,1-ij][1,2]thiazolo[5,4-c]quinoline-4,5-dione, 9-(4-(4-chlorophenoxy)phenyl)-2-methoxy-7,7-dimethyl-10-thioxo-9,10-dihydro-4H-isothiazolo[5,4-c]pyrrolo[3,2,1-ij]quinoline-4,5(7H)-dione
| Molecular Formula | C27H19ClN2O4S2 |
|---|---|
| Molecular Weight | 534.05 g/mol |
| LogP | 7.16759 |
| Topological Polar Surface Area | 60.77 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 534.0475 |
| Heavy Atoms | 36 |
| Complexity | 1636.232 |
Chemical Identifiers
| CAS Number | 650592-67-9 |
|---|---|
| SMILES | CC1(C2=C(C3=C4N1C(=O)C(=O)C4=CC(=C3)OC)C(=S)N(S2)C5=CC=C(C=C5)OC6=CC=C(C=C6)Cl)C |
Product Overview
9-[4-(4-chlorophenoxy)phenyl]-2-methoxy-7,7-dimethyl-10-thioxo-9,10-dihydro-7H-isothiazolo[5,4-c]pyrrolo[3,2,1-ij]quinoline-4,5-dione (CAS 650592-67-9), with molecular formula C27H19ClN2O4S2 and molecular weight 534.05 g/mol. IUPAC: 4-[4-(4-chlorophenoxy)phenyl]-13-methoxy-7,7-dimethyl-3-sulfanylidene-5-thia-4,8-diazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2(6),11,13-tetraene-9,10-dione.
Chemical Property Profile of 9-[4-(4-chlorophenoxy)phenyl]-2-methoxy-7,7-dimethyl-10-thioxo-9,10-dihydro-7H-isothiazolo[5,4-c]pyrrolo[3,2,1-ij]quinoline-4,5-dione
Property Insights of 9-[4-(4-chlorophenoxy)phenyl]-2-methoxy-7,7-dimethyl-10-thioxo-9,10-dihydro-7H-isothiazolo[5,4-c]pyrrolo[3,2,1-ij]quinoline-4,5-dione
The XLogP value of 7.16759 indicates that 9-[4-(4-chlorophenoxy)phenyl]-2-methoxy-7,7-dimethyl-10-thioxo-9,10-dihydro-7H-isothiazolo[5,4-c]pyrrolo[3,2,1-ij]quinoline-4,5-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.77 Ų falls within the moderate polarity range, balancing permeability and solubility for 9-[4-(4-chlorophenoxy)phenyl]-2-methoxy-7,7-dimethyl-10-thioxo-9,10-dihydro-7H-isothiazolo[5,4-c]pyrrolo[3,2,1-ij]quinoline-4,5-dione. Following Lipinski's Rule of Five, 9-[4-(4-chlorophenoxy)phenyl]-2-methoxy-7,7-dimethyl-10-thioxo-9,10-dihydro-7H-isothiazolo[5,4-c]pyrrolo[3,2,1-ij]quinoline-4,5-dione 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 9-[4-(4-chlorophenoxy)phenyl]-2-methoxy-7,7-dimethyl-10-thioxo-9,10-dihydro-7H-isothiazolo[5,4-c]pyrrolo[3,2,1-ij]quinoline-4,5-dione?
The CAS number of 9-[4-(4-chlorophenoxy)phenyl]-2-methoxy-7,7-dimethyl-10-thioxo-9,10-dihydro-7H-isothiazolo[5,4-c]pyrrolo[3,2,1-ij]quinoline-4,5-dione is 650592-67-9.
What is the molecular formula of 9-[4-(4-chlorophenoxy)phenyl]-2-methoxy-7,7-dimethyl-10-thioxo-9,10-dihydro-7H-isothiazolo[5,4-c]pyrrolo[3,2,1-ij]quinoline-4,5-dione?
The molecular formula of 9-[4-(4-chlorophenoxy)phenyl]-2-methoxy-7,7-dimethyl-10-thioxo-9,10-dihydro-7H-isothiazolo[5,4-c]pyrrolo[3,2,1-ij]quinoline-4,5-dione is C27H19ClN2O4S2.
What is the molecular weight of 9-[4-(4-chlorophenoxy)phenyl]-2-methoxy-7,7-dimethyl-10-thioxo-9,10-dihydro-7H-isothiazolo[5,4-c]pyrrolo[3,2,1-ij]quinoline-4,5-dione?
The molecular weight of 9-[4-(4-chlorophenoxy)phenyl]-2-methoxy-7,7-dimethyl-10-thioxo-9,10-dihydro-7H-isothiazolo[5,4-c]pyrrolo[3,2,1-ij]quinoline-4,5-dione is 534.05 g/mol.
Where can I buy 9-[4-(4-chlorophenoxy)phenyl]-2-methoxy-7,7-dimethyl-10-thioxo-9,10-dihydro-7H-isothiazolo[5,4-c]pyrrolo[3,2,1-ij]quinoline-4,5-dione?
You can request a quote for 9-[4-(4-chlorophenoxy)phenyl]-2-methoxy-7,7-dimethyl-10-thioxo-9,10-dihydro-7H-isothiazolo[5,4-c]pyrrolo[3,2,1-ij]quinoline-4,5-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9-[4-(4-chlorophenoxy)phenyl]-2-methoxy-7,7-dimethyl-10-thioxo-9,10-dihydro-7H-isothiazolo[5,4-c]pyrrolo[3,2,1-ij]quinoline-4,5-dione?
Yes, KEHONG BIO provides custom synthesis services for 9-[4-(4-chlorophenoxy)phenyl]-2-methoxy-7,7-dimethyl-10-thioxo-9,10-dihydro-7H-isothiazolo[5,4-c]pyrrolo[3,2,1-ij]quinoline-4,5-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.