![[9-(4-chlorophenyl)-2-ethoxy-7,7-dimethyl-5-oxo-10-thioxo-9,10-dihydro-7H-isothiazolo[5,4-c]pyrrolo[3,2,1-ij]quinolin-4(5H)-yliden](cyano)methyl cyanide structure](/static/products/724/724780-19-2.png)
[9-(4-chlorophenyl)-2-ethoxy-7,7-dimethyl-5-oxo-10-thioxo-9,10-dihydro-7H-isothiazolo[5,4-c]pyrrolo[3,2,1-ij]quinolin-4(5H)-yliden](cyano)methyl cyanide
TL;DR: [9-(4-chlorophenyl)-2-ethoxy-7,7-dimethyl-5-oxo-10-thioxo-9,10-dihydro-7H-isothiazolo[5,4-c]pyrrolo[3,2,1-ij]quinolin-4(5H)-yliden](cyano)methyl cyanide (CAS 724780-19-2) is a chemical compound with molecular formula C25H17ClN4O2S2 and molecular weight 504.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(4-chlorophenyl)-13-ethoxy-7,7-dimethyl-9-oxo-3-sulfanylidene-5-thia-4,8-diazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2(6),11,13-tetraen-10-ylidene]propanedinitrile
Also Known As: [9-(4-chlorophenyl)-2-ethoxy-7,7-dimethyl-5-oxo-10-thioxo-9,10-dihydro-7H-isothiazolo[5,4-c]pyrrolo[3,2,1-ij]quinolin-4(5H)-yliden](cyano)methyl cyanide|[9-(4-chlorophenyl)-2-ethoxy-7,7-dimethyl-5-oxo-10-thioxo-9,10-dihydro-7H-isothiazolo[5,4-c]pyrrolo[3,2,1-ij]quinolin-4(5H)-ylidene]malononitrile|[9-(4-chlorophenyl)-2-ethoxy-7,7-dimethyl-5-oxo-10-thioxo-9,10-dihydro-7H-pyrrolo[3,2,1-ij][1,2]thiazolo[5,4-c]quinolin-4(5H)-ylidene]propanedinitrile|2-(9-(4-chlorophenyl)-2-ethoxy-7,7-dimethyl-5-oxo-10-thioxo-5,7,9,10-tetrahydro-4H-isothiazolo[5,4-c]pyrrolo[3,2,1-ij]quinolin-4-ylidene)malononitrile
| Molecular Formula | C25H17ClN4O2S2 |
|---|---|
| Molecular Weight | 504.05 g/mol |
| LogP | 6.38345 |
| Topological Polar Surface Area | 82.05 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 504.04816 |
| Heavy Atoms | 34 |
| Complexity | 1550.2904 |
Chemical Identifiers
| CAS Number | 724780-19-2 |
|---|---|
| SMILES | CCOC1=CC2=C3C(=C1)C(=C(C#N)C#N)C(=O)N3C(C4=C2C(=S)N(S4)C5=CC=C(C=C5)Cl)(C)C |
Product Overview
[9-(4-chlorophenyl)-2-ethoxy-7,7-dimethyl-5-oxo-10-thioxo-9,10-dihydro-7H-isothiazolo[5,4-c]pyrrolo[3,2,1-ij]quinolin-4(5H)-yliden](cyano)methyl cyanide (CAS 724780-19-2), with molecular formula C25H17ClN4O2S2 and molecular weight 504.05 g/mol. IUPAC: 2-[4-(4-chlorophenyl)-13-ethoxy-7,7-dimethyl-9-oxo-3-sulfanylidene-5-thia-4,8-diazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2(6),11,13-tetraen-10-ylidene]propanedinitrile.
Chemical Property Profile of [9-(4-chlorophenyl)-2-ethoxy-7,7-dimethyl-5-oxo-10-thioxo-9,10-dihydro-7H-isothiazolo[5,4-c]pyrrolo[3,2,1-ij]quinolin-4(5H)-yliden](cyano)methyl cyanide
Property Insights of [9-(4-chlorophenyl)-2-ethoxy-7,7-dimethyl-5-oxo-10-thioxo-9,10-dihydro-7H-isothiazolo[5,4-c]pyrrolo[3,2,1-ij]quinolin-4(5H)-yliden](cyano)methyl cyanide
The XLogP value of 6.38345 indicates that [9-(4-chlorophenyl)-2-ethoxy-7,7-dimethyl-5-oxo-10-thioxo-9,10-dihydro-7H-isothiazolo[5,4-c]pyrrolo[3,2,1-ij]quinolin-4(5H)-yliden](cyano)methyl cyanide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.05 Ų falls within the moderate polarity range, balancing permeability and solubility for [9-(4-chlorophenyl)-2-ethoxy-7,7-dimethyl-5-oxo-10-thioxo-9,10-dihydro-7H-isothiazolo[5,4-c]pyrrolo[3,2,1-ij]quinolin-4(5H)-yliden](cyano)methyl cyanide. Following Lipinski's Rule of Five, [9-(4-chlorophenyl)-2-ethoxy-7,7-dimethyl-5-oxo-10-thioxo-9,10-dihydro-7H-isothiazolo[5,4-c]pyrrolo[3,2,1-ij]quinolin-4(5H)-yliden](cyano)methyl cyanide 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-chlorophenyl)-2-ethoxy-7,7-dimethyl-5-oxo-10-thioxo-9,10-dihydro-7H-isothiazolo[5,4-c]pyrrolo[3,2,1-ij]quinolin-4(5H)-yliden](cyano)methyl cyanide?
The CAS number of [9-(4-chlorophenyl)-2-ethoxy-7,7-dimethyl-5-oxo-10-thioxo-9,10-dihydro-7H-isothiazolo[5,4-c]pyrrolo[3,2,1-ij]quinolin-4(5H)-yliden](cyano)methyl cyanide is 724780-19-2.
What is the molecular formula of [9-(4-chlorophenyl)-2-ethoxy-7,7-dimethyl-5-oxo-10-thioxo-9,10-dihydro-7H-isothiazolo[5,4-c]pyrrolo[3,2,1-ij]quinolin-4(5H)-yliden](cyano)methyl cyanide?
The molecular formula of [9-(4-chlorophenyl)-2-ethoxy-7,7-dimethyl-5-oxo-10-thioxo-9,10-dihydro-7H-isothiazolo[5,4-c]pyrrolo[3,2,1-ij]quinolin-4(5H)-yliden](cyano)methyl cyanide is C25H17ClN4O2S2.
What is the molecular weight of [9-(4-chlorophenyl)-2-ethoxy-7,7-dimethyl-5-oxo-10-thioxo-9,10-dihydro-7H-isothiazolo[5,4-c]pyrrolo[3,2,1-ij]quinolin-4(5H)-yliden](cyano)methyl cyanide?
The molecular weight of [9-(4-chlorophenyl)-2-ethoxy-7,7-dimethyl-5-oxo-10-thioxo-9,10-dihydro-7H-isothiazolo[5,4-c]pyrrolo[3,2,1-ij]quinolin-4(5H)-yliden](cyano)methyl cyanide is 504.05 g/mol.
Where can I buy [9-(4-chlorophenyl)-2-ethoxy-7,7-dimethyl-5-oxo-10-thioxo-9,10-dihydro-7H-isothiazolo[5,4-c]pyrrolo[3,2,1-ij]quinolin-4(5H)-yliden](cyano)methyl cyanide?
You can request a quote for [9-(4-chlorophenyl)-2-ethoxy-7,7-dimethyl-5-oxo-10-thioxo-9,10-dihydro-7H-isothiazolo[5,4-c]pyrrolo[3,2,1-ij]quinolin-4(5H)-yliden](cyano)methyl cyanide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [9-(4-chlorophenyl)-2-ethoxy-7,7-dimethyl-5-oxo-10-thioxo-9,10-dihydro-7H-isothiazolo[5,4-c]pyrrolo[3,2,1-ij]quinolin-4(5H)-yliden](cyano)methyl cyanide?
Yes, KEHONG BIO provides custom synthesis services for [9-(4-chlorophenyl)-2-ethoxy-7,7-dimethyl-5-oxo-10-thioxo-9,10-dihydro-7H-isothiazolo[5,4-c]pyrrolo[3,2,1-ij]quinolin-4(5H)-yliden](cyano)methyl cyanide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.