2-Carbonitrile,bicyclo(2.2.1)hept-2,5-diene
TL;DR: 2-Carbonitrile,bicyclo(2.2.1)hept-2,5-diene (CAS 39863-20-2) is a chemical compound with molecular formula C8H7N and molecular weight 117.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bicyclo[2.2.1]hepta-2,5-diene-2-carbonitrile
Also Known As: 2-Carbonitrile,bicyclo(2.2.1)hept-2,5-diene, bicyclo[2.2.1]hepta-2,5-diene-3-carbonitrile, 2-Carbonitrile,bicyclo[2.2.1]hept-2,5-diene, Bicyclo[2.2.1]hepta-2,5-diene-2-carbonitrile, 2-Carbonitrile, bicyclo[2.2.1]hepta-2,5-diene
| Molecular Formula | C8H7N |
|---|---|
| Molecular Weight | 117.06 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 117.057846 |
| Heavy Atoms | 9 |
| Complexity | 239.0 |
Chemical Identifiers
| CAS Number | 39863-20-2 |
|---|---|
| SMILES | C1C2C=CC1C(=C2)C#N |
| InChIKey | NMTOJNONWQWGOI-UHFFFAOYSA-N |
Product Overview
2-Carbonitrile,bicyclo(2.2.1)hept-2,5-diene (CAS 39863-20-2), with molecular formula C8H7N and molecular weight 117.06 g/mol. IUPAC: bicyclo[2.2.1]hepta-2,5-diene-2-carbonitrile.
Chemical Property Profile of 2-Carbonitrile,bicyclo(2.2.1)hept-2,5-diene
Property Insights of 2-Carbonitrile,bicyclo(2.2.1)hept-2,5-diene
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Carbonitrile,bicyclo(2.2.1)hept-2,5-diene. With a topological polar surface area (TPSA) of 23.8 Ų, 2-Carbonitrile,bicyclo(2.2.1)hept-2,5-diene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Carbonitrile,bicyclo(2.2.1)hept-2,5-diene 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 2-Carbonitrile,bicyclo(2.2.1)hept-2,5-diene?
The CAS number of 2-Carbonitrile,bicyclo(2.2.1)hept-2,5-diene is 39863-20-2.
What is the molecular formula of 2-Carbonitrile,bicyclo(2.2.1)hept-2,5-diene?
The molecular formula of 2-Carbonitrile,bicyclo(2.2.1)hept-2,5-diene is C8H7N.
What is the molecular weight of 2-Carbonitrile,bicyclo(2.2.1)hept-2,5-diene?
The molecular weight of 2-Carbonitrile,bicyclo(2.2.1)hept-2,5-diene is 117.06 g/mol.
Where can I buy 2-Carbonitrile,bicyclo(2.2.1)hept-2,5-diene?
You can request a quote for 2-Carbonitrile,bicyclo(2.2.1)hept-2,5-diene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Carbonitrile,bicyclo(2.2.1)hept-2,5-diene?
Yes, KEHONG BIO provides custom synthesis services for 2-Carbonitrile,bicyclo(2.2.1)hept-2,5-diene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.