![(4,4,6-trimethyl-2-oxo-4H-[1,3]dioxolo[4,5-g]pyrrolo[3,2,1-ij]quinolin-1(2H)-ylidene)propanedinitrile structure](/static/products/669/669747-79-9.png)
(4,4,6-trimethyl-2-oxo-4H-[1,3]dioxolo[4,5-g]pyrrolo[3,2,1-ij]quinolin-1(2H)-ylidene)propanedinitrile
TL;DR: (4,4,6-trimethyl-2-oxo-4H-[1,3]dioxolo[4,5-g]pyrrolo[3,2,1-ij]quinolin-1(2H)-ylidene)propanedinitrile (CAS 669747-79-9) is a chemical compound with molecular formula C18H13N3O3 and molecular weight 319.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(9,11,11-trimethyl-13-oxo-3,5-dioxa-12-azatetracyclo[6.6.1.02,6.012,15]pentadeca-1(15),2(6),7,9-tetraen-14-ylidene)propanedinitrile
Also Known As: (4,4,6-trimethyl-2-oxo-4H-[1,3]dioxolo[4,5-g]pyrrolo[3,2,1-ij]quinolin-1(2H)-ylidene)propanedinitrile, 2-(4,4,6-trimethyl-2-oxo-2,4-dihydro-1H-[1,3]dioxolo[4,5-g]pyrrolo[3,2,1-ij]quinolin-1-ylidene)malononitrile, 2-[4,4,6-TRIMETHYL-2-OXO-4H-[1,3]DIOXOLO[4,5-G]PYRROLO[3,2,1-IJ]QUINOLIN-1(2H)-YLIDEN]MALONONITRILE
| Molecular Formula | C18H13N3O3 |
|---|---|
| Molecular Weight | 319.10 g/mol |
| LogP | 2.75816 |
| Topological Polar Surface Area | 86.35 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 319.0957 |
| Heavy Atoms | 24 |
| Complexity | 954.69385 |
Chemical Identifiers
| CAS Number | 669747-79-9 |
|---|---|
| SMILES | CC1=CC(N2C3=C(C4=C(C=C13)OCO4)C(=C(C#N)C#N)C2=O)(C)C |
Product Overview
(4,4,6-trimethyl-2-oxo-4H-[1,3]dioxolo[4,5-g]pyrrolo[3,2,1-ij]quinolin-1(2H)-ylidene)propanedinitrile (CAS 669747-79-9), with molecular formula C18H13N3O3 and molecular weight 319.10 g/mol. IUPAC: 2-(9,11,11-trimethyl-13-oxo-3,5-dioxa-12-azatetracyclo[6.6.1.02,6.012,15]pentadeca-1(15),2(6),7,9-tetraen-14-ylidene)propanedinitrile.
Chemical Property Profile of (4,4,6-trimethyl-2-oxo-4H-[1,3]dioxolo[4,5-g]pyrrolo[3,2,1-ij]quinolin-1(2H)-ylidene)propanedinitrile
Property Insights of (4,4,6-trimethyl-2-oxo-4H-[1,3]dioxolo[4,5-g]pyrrolo[3,2,1-ij]quinolin-1(2H)-ylidene)propanedinitrile
The XLogP value of 2.75816 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4,4,6-trimethyl-2-oxo-4H-[1,3]dioxolo[4,5-g]pyrrolo[3,2,1-ij]quinolin-1(2H)-ylidene)propanedinitrile. The TPSA of 86.35 Ų falls within the moderate polarity range, balancing permeability and solubility for (4,4,6-trimethyl-2-oxo-4H-[1,3]dioxolo[4,5-g]pyrrolo[3,2,1-ij]quinolin-1(2H)-ylidene)propanedinitrile. Following Lipinski's Rule of Five, (4,4,6-trimethyl-2-oxo-4H-[1,3]dioxolo[4,5-g]pyrrolo[3,2,1-ij]quinolin-1(2H)-ylidene)propanedinitrile has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (4,4,6-trimethyl-2-oxo-4H-[1,3]dioxolo[4,5-g]pyrrolo[3,2,1-ij]quinolin-1(2H)-ylidene)propanedinitrile?
The CAS number of (4,4,6-trimethyl-2-oxo-4H-[1,3]dioxolo[4,5-g]pyrrolo[3,2,1-ij]quinolin-1(2H)-ylidene)propanedinitrile is 669747-79-9.
What is the molecular formula of (4,4,6-trimethyl-2-oxo-4H-[1,3]dioxolo[4,5-g]pyrrolo[3,2,1-ij]quinolin-1(2H)-ylidene)propanedinitrile?
The molecular formula of (4,4,6-trimethyl-2-oxo-4H-[1,3]dioxolo[4,5-g]pyrrolo[3,2,1-ij]quinolin-1(2H)-ylidene)propanedinitrile is C18H13N3O3.
What is the molecular weight of (4,4,6-trimethyl-2-oxo-4H-[1,3]dioxolo[4,5-g]pyrrolo[3,2,1-ij]quinolin-1(2H)-ylidene)propanedinitrile?
The molecular weight of (4,4,6-trimethyl-2-oxo-4H-[1,3]dioxolo[4,5-g]pyrrolo[3,2,1-ij]quinolin-1(2H)-ylidene)propanedinitrile is 319.10 g/mol.
Where can I buy (4,4,6-trimethyl-2-oxo-4H-[1,3]dioxolo[4,5-g]pyrrolo[3,2,1-ij]quinolin-1(2H)-ylidene)propanedinitrile?
You can request a quote for (4,4,6-trimethyl-2-oxo-4H-[1,3]dioxolo[4,5-g]pyrrolo[3,2,1-ij]quinolin-1(2H)-ylidene)propanedinitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4,4,6-trimethyl-2-oxo-4H-[1,3]dioxolo[4,5-g]pyrrolo[3,2,1-ij]quinolin-1(2H)-ylidene)propanedinitrile?
Yes, KEHONG BIO provides custom synthesis services for (4,4,6-trimethyl-2-oxo-4H-[1,3]dioxolo[4,5-g]pyrrolo[3,2,1-ij]quinolin-1(2H)-ylidene)propanedinitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.