![3-Imino-5-methyl-2-oxabicyclo[2.2.1]heptane-4,7,7-tricarbonitrile structure](/static/products/134/134285-16-8.png)
3-Imino-5-methyl-2-oxabicyclo[2.2.1]heptane-4,7,7-tricarbonitrile
TL;DR: 3-Imino-5-methyl-2-oxabicyclo[2.2.1]heptane-4,7,7-tricarbonitrile (CAS 134285-16-8) is a chemical compound with molecular formula C10H8N4O and molecular weight 200.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-imino-5-methyl-2-oxabicyclo[2.2.1]heptane-4,7,7-tricarbonitrile
Also Known As: NCI60_029299, 3-Imino-5-methyl-2-oxabicyclo[2.2.1]heptane-4,7,7-tricarbonitrile, 3-imino-5-methyl-4,7,7-tricyano-2-oxabicyclo[2,2,1]heptane, 2-imino-6-methyl-3-oxabicyclo[2.2.1]heptane-1,7,7-tricarbonitrile, (1S,5S)-3-IMINO-5-METHYL-2-OXABICYCLO[2.2.1]HEPTANE-4,7,7-TRICARBONITRILE
| Molecular Formula | C10H8N4O |
|---|---|
| Molecular Weight | 200.07 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 200.06981 |
| Heavy Atoms | 15 |
| Complexity | 479.0 |
Chemical Identifiers
| CAS Number | 134285-16-8 |
|---|---|
| SMILES | CC1CC2C(C1(C(=N)O2)C#N)(C#N)C#N |
| InChIKey | LVPLGJCWQLAVSY-UHFFFAOYSA-N |
Product Overview
3-Imino-5-methyl-2-oxabicyclo[2.2.1]heptane-4,7,7-tricarbonitrile (CAS 134285-16-8), with molecular formula C10H8N4O and molecular weight 200.07 g/mol. IUPAC: 3-imino-5-methyl-2-oxabicyclo[2.2.1]heptane-4,7,7-tricarbonitrile.
Chemical Property Profile of 3-Imino-5-methyl-2-oxabicyclo[2.2.1]heptane-4,7,7-tricarbonitrile
Property Insights of 3-Imino-5-methyl-2-oxabicyclo[2.2.1]heptane-4,7,7-tricarbonitrile
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Imino-5-methyl-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-5-methyl-2-oxabicyclo[2.2.1]heptane-4,7,7-tricarbonitrile. Following Lipinski's Rule of Five, 3-Imino-5-methyl-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-5-methyl-2-oxabicyclo[2.2.1]heptane-4,7,7-tricarbonitrile?
The CAS number of 3-Imino-5-methyl-2-oxabicyclo[2.2.1]heptane-4,7,7-tricarbonitrile is 134285-16-8.
What is the molecular formula of 3-Imino-5-methyl-2-oxabicyclo[2.2.1]heptane-4,7,7-tricarbonitrile?
The molecular formula of 3-Imino-5-methyl-2-oxabicyclo[2.2.1]heptane-4,7,7-tricarbonitrile is C10H8N4O.
What is the molecular weight of 3-Imino-5-methyl-2-oxabicyclo[2.2.1]heptane-4,7,7-tricarbonitrile?
The molecular weight of 3-Imino-5-methyl-2-oxabicyclo[2.2.1]heptane-4,7,7-tricarbonitrile is 200.07 g/mol.
Where can I buy 3-Imino-5-methyl-2-oxabicyclo[2.2.1]heptane-4,7,7-tricarbonitrile?
You can request a quote for 3-Imino-5-methyl-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-5-methyl-2-oxabicyclo[2.2.1]heptane-4,7,7-tricarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-Imino-5-methyl-2-oxabicyclo[2.2.1]heptane-4,7,7-tricarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.