(((2,2,7-Trimethyl-3-oxaindan-4-YL)amino)methylene)methane-1,1-dicarbonitrile
TL;DR: (((2,2,7-Trimethyl-3-oxaindan-4-YL)amino)methylene)methane-1,1-dicarbonitrile (CAS 1023540-72-8) is a chemical compound with molecular formula C15H15N3O and molecular weight 253.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[(2,2,4-trimethyl-3H-1-benzofuran-7-yl)amino]methylidene]propanedinitrile
Also Known As: (((2,2,7-TRIMETHYL-3-OXAINDAN-4-YL)AMINO)METHYLENE)METHANE-1,1-DICARBONITRILE, 2-[[(2,2,4-trimethyl-3H-1-benzofuran-7-yl)amino]methylidene]propanedinitrile, 2-[[(2,2,4-trimethyl-3H-benzofuran-7-yl)amino]methylene]propanedinitrile, 2-[[(2,2,4-trimethyl-3H-benzofuran-7-yl)amino]methylidene]propanedinitrile, 2-{[(2,2,4-trimethyl-2,3-dihydro-1-benzofuran-7-yl)amino]methylidene}propanedinitrile
| Molecular Formula | C15H15N3O |
|---|---|
| Molecular Weight | 253.12 g/mol |
| LogP | 3.05148 |
| Topological Polar Surface Area | 68.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 253.1215 |
| Heavy Atoms | 19 |
| Complexity | 614.01636 |
Chemical Identifiers
| CAS Number | 1023540-72-8 |
|---|---|
| SMILES | CC1=C2CC(OC2=C(C=C1)NC=C(C#N)C#N)(C)C |
Product Overview
(((2,2,7-Trimethyl-3-oxaindan-4-YL)amino)methylene)methane-1,1-dicarbonitrile (CAS 1023540-72-8), with molecular formula C15H15N3O and molecular weight 253.12 g/mol. IUPAC: 2-[[(2,2,4-trimethyl-3H-1-benzofuran-7-yl)amino]methylidene]propanedinitrile.
Chemical Property Profile of (((2,2,7-Trimethyl-3-oxaindan-4-YL)amino)methylene)methane-1,1-dicarbonitrile
Property Insights of (((2,2,7-Trimethyl-3-oxaindan-4-YL)amino)methylene)methane-1,1-dicarbonitrile
The XLogP value of 3.05148 indicates that (((2,2,7-Trimethyl-3-oxaindan-4-YL)amino)methylene)methane-1,1-dicarbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.84 Ų falls within the moderate polarity range, balancing permeability and solubility for (((2,2,7-Trimethyl-3-oxaindan-4-YL)amino)methylene)methane-1,1-dicarbonitrile. Following Lipinski's Rule of Five, (((2,2,7-Trimethyl-3-oxaindan-4-YL)amino)methylene)methane-1,1-dicarbonitrile has 1 hydrogen bond donor(s) and 4 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 (((2,2,7-Trimethyl-3-oxaindan-4-YL)amino)methylene)methane-1,1-dicarbonitrile?
The CAS number of (((2,2,7-Trimethyl-3-oxaindan-4-YL)amino)methylene)methane-1,1-dicarbonitrile is 1023540-72-8.
What is the molecular formula of (((2,2,7-Trimethyl-3-oxaindan-4-YL)amino)methylene)methane-1,1-dicarbonitrile?
The molecular formula of (((2,2,7-Trimethyl-3-oxaindan-4-YL)amino)methylene)methane-1,1-dicarbonitrile is C15H15N3O.
What is the molecular weight of (((2,2,7-Trimethyl-3-oxaindan-4-YL)amino)methylene)methane-1,1-dicarbonitrile?
The molecular weight of (((2,2,7-Trimethyl-3-oxaindan-4-YL)amino)methylene)methane-1,1-dicarbonitrile is 253.12 g/mol.
Where can I buy (((2,2,7-Trimethyl-3-oxaindan-4-YL)amino)methylene)methane-1,1-dicarbonitrile?
You can request a quote for (((2,2,7-Trimethyl-3-oxaindan-4-YL)amino)methylene)methane-1,1-dicarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (((2,2,7-Trimethyl-3-oxaindan-4-YL)amino)methylene)methane-1,1-dicarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for (((2,2,7-Trimethyl-3-oxaindan-4-YL)amino)methylene)methane-1,1-dicarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.