![imino(isopropyl)[?]tricarbonitrile structure](/static/products/950/95059-24-8.png)
imino(isopropyl)[?]tricarbonitrile
TL;DR: imino(isopropyl)[?]tricarbonitrile (CAS 95059-24-8) is a chemical compound with molecular formula C16H18N4O2 and molecular weight 298.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-imino-12-propan-2-yl-10,11-dioxatricyclo[6.2.2.01,6]dodecane-7,7,8-tricarbonitrile
Also Known As: imino(isopropyl)[?]tricarbonitrile, NCI60_029316, 2-imino-10-isopropylhexahydro-8a,3-(epoxymethano)chromene-3,4,4(4aH)-tricarbonitrile, 2-Imino-10-isopropyltetrahydro-8a,3-(epoxymethano)chromene-3,4,4(2H,4aH)-tricarbonitrile, 11-Lmino-10-(1-methylethyl)-9,12-dioxatricyclo[6.2.2.0(3,8)]dodecane-1,2,2-tricarbonitrile
| Molecular Formula | C16H18N4O2 |
|---|---|
| Molecular Weight | 298.14 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 114.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 298.14297 |
| Heavy Atoms | 22 |
| Complexity | 671.0 |
Chemical Identifiers
| CAS Number | 95059-24-8 |
|---|---|
| SMILES | CC(C)C1C2(C(=N)OC3(O1)CCCCC3C2(C#N)C#N)C#N |
| InChIKey | SAXXWQJHVLCOKN-UHFFFAOYSA-N |
Product Overview
imino(isopropyl)[?]tricarbonitrile (CAS 95059-24-8), with molecular formula C16H18N4O2 and molecular weight 298.14 g/mol. IUPAC: 9-imino-12-propan-2-yl-10,11-dioxatricyclo[6.2.2.01,6]dodecane-7,7,8-tricarbonitrile.
Chemical Property Profile of imino(isopropyl)[?]tricarbonitrile
Property Insights of imino(isopropyl)[?]tricarbonitrile
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for imino(isopropyl)[?]tricarbonitrile. The TPSA of 114.0 Ų falls within the moderate polarity range, balancing permeability and solubility for imino(isopropyl)[?]tricarbonitrile. Following Lipinski's Rule of Five, imino(isopropyl)[?]tricarbonitrile has 1 hydrogen bond donor(s) and 6 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 imino(isopropyl)[?]tricarbonitrile?
The CAS number of imino(isopropyl)[?]tricarbonitrile is 95059-24-8.
What is the molecular formula of imino(isopropyl)[?]tricarbonitrile?
The molecular formula of imino(isopropyl)[?]tricarbonitrile is C16H18N4O2.
What is the molecular weight of imino(isopropyl)[?]tricarbonitrile?
The molecular weight of imino(isopropyl)[?]tricarbonitrile is 298.14 g/mol.
Where can I buy imino(isopropyl)[?]tricarbonitrile?
You can request a quote for imino(isopropyl)[?]tricarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for imino(isopropyl)[?]tricarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for imino(isopropyl)[?]tricarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.