![[9-(3-methoxyphenyl)-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 structure](/static/products/669/669747-75-5.png)
[9-(3-methoxyphenyl)-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
TL;DR: [9-(3-methoxyphenyl)-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 (CAS 669747-75-5) is a chemical compound with molecular formula C24H16N4O2S2 and molecular weight 456.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(3-methoxyphenyl)-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-(3-methoxyphenyl)-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-(3-methoxyphenyl)-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-(3-methoxyphenyl)-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|2-[9-(3-methoxyphenyl)-7,7-dimethyl-5-oxo-10-thioxo-9,10-dihydro-7H-isothiazolo[5,4-c]pyrrolo[3,2,1-ij]quinolin-4(5H)-yliden]malononitrile
| Molecular Formula | C24H16N4O2S2 |
|---|---|
| Molecular Weight | 456.07 g/mol |
| LogP | 5.33995 |
| Topological Polar Surface Area | 82.05 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 456.07147 |
| Heavy Atoms | 32 |
| Complexity | 1495.912 |
Chemical Identifiers
| CAS Number | 669747-75-5 |
|---|---|
| SMILES | CC1(C2=C(C3=C4N1C(=O)C(=C(C#N)C#N)C4=CC=C3)C(=S)N(S2)C5=CC(=CC=C5)OC)C |
Product Overview
[9-(3-methoxyphenyl)-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 (CAS 669747-75-5), with molecular formula C24H16N4O2S2 and molecular weight 456.07 g/mol. IUPAC: 2-[4-(3-methoxyphenyl)-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-(3-methoxyphenyl)-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
Property Insights of [9-(3-methoxyphenyl)-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
The XLogP value of 5.33995 indicates that [9-(3-methoxyphenyl)-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 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-(3-methoxyphenyl)-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. Following Lipinski's Rule of Five, [9-(3-methoxyphenyl)-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 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-(3-methoxyphenyl)-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?
The CAS number of [9-(3-methoxyphenyl)-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 is 669747-75-5.
What is the molecular formula of [9-(3-methoxyphenyl)-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?
The molecular formula of [9-(3-methoxyphenyl)-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 is C24H16N4O2S2.
What is the molecular weight of [9-(3-methoxyphenyl)-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?
The molecular weight of [9-(3-methoxyphenyl)-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 is 456.07 g/mol.
Where can I buy [9-(3-methoxyphenyl)-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?
You can request a quote for [9-(3-methoxyphenyl)-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 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [9-(3-methoxyphenyl)-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?
Yes, KEHONG BIO provides custom synthesis services for [9-(3-methoxyphenyl)-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 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.