![(3E)-3-bromoimino-1,5,5-trimethyl-2-oxabicyclo[2.2.1]heptane-4,7,7-tricarbonitrile structure](/static/products/118/118645-03-7.png)
(3E)-3-bromoimino-1,5,5-trimethyl-2-oxabicyclo[2.2.1]heptane-4,7,7-tricarbonitrile
TL;DR: (3E)-3-bromoimino-1,5,5-trimethyl-2-oxabicyclo[2.2.1]heptane-4,7,7-tricarbonitrile (CAS 118645-03-7) is a chemical compound with molecular formula C12H11BrN4O and molecular weight 306.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3E)-3-bromoimino-1,5,5-trimethyl-2-oxabicyclo[2.2.1]heptane-4,7,7-tricarbonitrile
Also Known As: (3E)-3-bromoimino-1,5,5-trimethyl-2-oxabicyclo[2.2.1]heptane-4,7,7-tricarbonitrile, (E)-3-(bromoimino)-1,5,5-trimethyl-2-oxabicyclo[2.2.1]heptane-4,7,7-tricarbonitrile
| Molecular Formula | C12H11BrN4O |
|---|---|
| Molecular Weight | 306.01 g/mol |
| LogP | 2.45714 |
| Topological Polar Surface Area | 92.96 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 306.01163 |
| Heavy Atoms | 18 |
| Complexity | 562.3555 |
Chemical Identifiers
| CAS Number | 118645-03-7 |
|---|---|
| SMILES | CC1(CC2(C(C1(/C(=N\Br)/O2)C#N)(C#N)C#N)C)C |
Product Overview
(3E)-3-bromoimino-1,5,5-trimethyl-2-oxabicyclo[2.2.1]heptane-4,7,7-tricarbonitrile (CAS 118645-03-7), with molecular formula C12H11BrN4O and molecular weight 306.01 g/mol. IUPAC: (3E)-3-bromoimino-1,5,5-trimethyl-2-oxabicyclo[2.2.1]heptane-4,7,7-tricarbonitrile.
Chemical Property Profile of (3E)-3-bromoimino-1,5,5-trimethyl-2-oxabicyclo[2.2.1]heptane-4,7,7-tricarbonitrile
Property Insights of (3E)-3-bromoimino-1,5,5-trimethyl-2-oxabicyclo[2.2.1]heptane-4,7,7-tricarbonitrile
The XLogP value of 2.45714 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3E)-3-bromoimino-1,5,5-trimethyl-2-oxabicyclo[2.2.1]heptane-4,7,7-tricarbonitrile. The TPSA of 92.96 Ų falls within the moderate polarity range, balancing permeability and solubility for (3E)-3-bromoimino-1,5,5-trimethyl-2-oxabicyclo[2.2.1]heptane-4,7,7-tricarbonitrile. Following Lipinski's Rule of Five, (3E)-3-bromoimino-1,5,5-trimethyl-2-oxabicyclo[2.2.1]heptane-4,7,7-tricarbonitrile 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 (3E)-3-bromoimino-1,5,5-trimethyl-2-oxabicyclo[2.2.1]heptane-4,7,7-tricarbonitrile?
The CAS number of (3E)-3-bromoimino-1,5,5-trimethyl-2-oxabicyclo[2.2.1]heptane-4,7,7-tricarbonitrile is 118645-03-7.
What is the molecular formula of (3E)-3-bromoimino-1,5,5-trimethyl-2-oxabicyclo[2.2.1]heptane-4,7,7-tricarbonitrile?
The molecular formula of (3E)-3-bromoimino-1,5,5-trimethyl-2-oxabicyclo[2.2.1]heptane-4,7,7-tricarbonitrile is C12H11BrN4O.
What is the molecular weight of (3E)-3-bromoimino-1,5,5-trimethyl-2-oxabicyclo[2.2.1]heptane-4,7,7-tricarbonitrile?
The molecular weight of (3E)-3-bromoimino-1,5,5-trimethyl-2-oxabicyclo[2.2.1]heptane-4,7,7-tricarbonitrile is 306.01 g/mol.
Where can I buy (3E)-3-bromoimino-1,5,5-trimethyl-2-oxabicyclo[2.2.1]heptane-4,7,7-tricarbonitrile?
You can request a quote for (3E)-3-bromoimino-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 (3E)-3-bromoimino-1,5,5-trimethyl-2-oxabicyclo[2.2.1]heptane-4,7,7-tricarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for (3E)-3-bromoimino-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.