Bicyclo(2.2.1)heptane-2-propanenitrile, beta-methylene-
TL;DR: Bicyclo(2.2.1)heptane-2-propanenitrile, beta-methylene- (CAS 72928-06-4) is a chemical compound with molecular formula C11H15N and molecular weight 161.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-bicyclo[2.2.1]heptanyl)but-3-enenitrile
Also Known As: 3-(3-bicyclo[2.2.1]heptanyl)but-3-enenitrile, 3-(Bicyclo(2.2.1)hept-2-yl)-3-butenenitrile, Bicyclo[2.2.1]heptane-2-propanenitrile, .beta.-methylene-, Bicyclo(2.2.1)heptane-2-propanenitrile, beta-methylene-, 3-(Bicyclo[2.2.1]heptan-2-yl)but-3-enenitrile
| Molecular Formula | C11H15N |
|---|---|
| Molecular Weight | 161.12 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 161.12045 |
| Heavy Atoms | 12 |
| Complexity | 245.0 |
Chemical Identifiers
| CAS Number | 72928-06-4 |
|---|---|
| SMILES | C=C(CC#N)C1CC2CCC1C2 |
| InChIKey | OAOBTFQDDZCFJD-UHFFFAOYSA-N |
Product Overview
Bicyclo(2.2.1)heptane-2-propanenitrile, beta-methylene- (CAS 72928-06-4), with molecular formula C11H15N and molecular weight 161.12 g/mol. IUPAC: 3-(2-bicyclo[2.2.1]heptanyl)but-3-enenitrile.
Chemical Property Profile of Bicyclo(2.2.1)heptane-2-propanenitrile, beta-methylene-
Property Insights of Bicyclo(2.2.1)heptane-2-propanenitrile, beta-methylene-
The XLogP value of 3.3 indicates that Bicyclo(2.2.1)heptane-2-propanenitrile, beta-methylene- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.8 Ų, Bicyclo(2.2.1)heptane-2-propanenitrile, beta-methylene- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bicyclo(2.2.1)heptane-2-propanenitrile, beta-methylene- has 0 hydrogen bond donor(s) and 1 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 Bicyclo(2.2.1)heptane-2-propanenitrile, beta-methylene-?
The CAS number of Bicyclo(2.2.1)heptane-2-propanenitrile, beta-methylene- is 72928-06-4.
What is the molecular formula of Bicyclo(2.2.1)heptane-2-propanenitrile, beta-methylene-?
The molecular formula of Bicyclo(2.2.1)heptane-2-propanenitrile, beta-methylene- is C11H15N.
What is the molecular weight of Bicyclo(2.2.1)heptane-2-propanenitrile, beta-methylene-?
The molecular weight of Bicyclo(2.2.1)heptane-2-propanenitrile, beta-methylene- is 161.12 g/mol.
Where can I buy Bicyclo(2.2.1)heptane-2-propanenitrile, beta-methylene-?
You can request a quote for Bicyclo(2.2.1)heptane-2-propanenitrile, beta-methylene- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bicyclo(2.2.1)heptane-2-propanenitrile, beta-methylene-?
Yes, KEHONG BIO provides custom synthesis services for Bicyclo(2.2.1)heptane-2-propanenitrile, beta-methylene- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.