![3-Imino-1,5,5-trimethyl-2-oxabicyclo[2.2.1]heptane-4,7,7-tricarbonitrile structure](/static/products/939/93971-37-0.png)
3-Imino-1,5,5-trimethyl-2-oxabicyclo[2.2.1]heptane-4,7,7-tricarbonitrile
TL;DR: 3-Imino-1,5,5-trimethyl-2-oxabicyclo[2.2.1]heptane-4,7,7-tricarbonitrile (CAS 93971-37-0) is a chemical compound with molecular formula C12H12N4O and molecular weight 228.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-imino-1,5,5-trimethyl-2-oxabicyclo[2.2.1]heptane-4,7,7-tricarbonitrile
Also Known As: 3-Imino-1,5,5-trimethyl-2-oxabicyclo[2.2.1]heptane-4,7,7-tricarbonitrile, NCI60_029267, 2-imino-4,6,6-trimethyl-3-oxabicyclo[2.2.1]heptane-1,7,7-tricarbonitrile, 3-Lmino-1,5,5-trimethyl-2-oxabicyclo[2.2.1]heptane-4,7,7-tricarbonitrile, 6-imino-2,2,4-trimethyl-5-oxabicyclo[2.2.1]heptane-1,7,7-tricarbonitrile
| Molecular Formula | C12H12N4O |
|---|---|
| Molecular Weight | 228.10 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 228.1011 |
| Heavy Atoms | 17 |
| Complexity | 561.0 |
Chemical Identifiers
| CAS Number | 93971-37-0 |
|---|---|
| SMILES | CC1(CC2(C(C1(C(=N)O2)C#N)(C#N)C#N)C)C |
| InChIKey | PERGIMFAIDAJHC-UHFFFAOYSA-N |
Product Overview
3-Imino-1,5,5-trimethyl-2-oxabicyclo[2.2.1]heptane-4,7,7-tricarbonitrile (CAS 93971-37-0), with molecular formula C12H12N4O and molecular weight 228.10 g/mol. IUPAC: 3-imino-1,5,5-trimethyl-2-oxabicyclo[2.2.1]heptane-4,7,7-tricarbonitrile.
Chemical Property Profile of 3-Imino-1,5,5-trimethyl-2-oxabicyclo[2.2.1]heptane-4,7,7-tricarbonitrile
Property Insights of 3-Imino-1,5,5-trimethyl-2-oxabicyclo[2.2.1]heptane-4,7,7-tricarbonitrile
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Imino-1,5,5-trimethyl-2-oxabicyclo[2.2.1]heptane-4,7,7-tricarbonitrile. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Imino-1,5,5-trimethyl-2-oxabicyclo[2.2.1]heptane-4,7,7-tricarbonitrile. Following Lipinski's Rule of Five, 3-Imino-1,5,5-trimethyl-2-oxabicyclo[2.2.1]heptane-4,7,7-tricarbonitrile has 1 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 3-Imino-1,5,5-trimethyl-2-oxabicyclo[2.2.1]heptane-4,7,7-tricarbonitrile?
The CAS number of 3-Imino-1,5,5-trimethyl-2-oxabicyclo[2.2.1]heptane-4,7,7-tricarbonitrile is 93971-37-0.
What is the molecular formula of 3-Imino-1,5,5-trimethyl-2-oxabicyclo[2.2.1]heptane-4,7,7-tricarbonitrile?
The molecular formula of 3-Imino-1,5,5-trimethyl-2-oxabicyclo[2.2.1]heptane-4,7,7-tricarbonitrile is C12H12N4O.
What is the molecular weight of 3-Imino-1,5,5-trimethyl-2-oxabicyclo[2.2.1]heptane-4,7,7-tricarbonitrile?
The molecular weight of 3-Imino-1,5,5-trimethyl-2-oxabicyclo[2.2.1]heptane-4,7,7-tricarbonitrile is 228.10 g/mol.
Where can I buy 3-Imino-1,5,5-trimethyl-2-oxabicyclo[2.2.1]heptane-4,7,7-tricarbonitrile?
You can request a quote for 3-Imino-1,5,5-trimethyl-2-oxabicyclo[2.2.1]heptane-4,7,7-tricarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Imino-1,5,5-trimethyl-2-oxabicyclo[2.2.1]heptane-4,7,7-tricarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-Imino-1,5,5-trimethyl-2-oxabicyclo[2.2.1]heptane-4,7,7-tricarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.