![(2s)-Bicyclo[2.2.1]hept-5-ene-2-carbonitrile structure](/static/products/3449/3449-44-3.webp)
(2s)-Bicyclo[2.2.1]hept-5-ene-2-carbonitrile
TL;DR: (2s)-Bicyclo[2.2.1]hept-5-ene-2-carbonitrile (CAS 3449-44-3) is a chemical compound with molecular formula C8H9N and molecular weight 119.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-bicyclo[2.2.1]hept-5-ene-2-carbonitrile
Also Known As: (2s)-bicyclo[2.2.1]hept-5-ene-2-carbonitrile, Bicyclo[2.2.1]hept-5-ene-2-carbonitrile,(1R,2S,4R)-rel-, exo-Bicyclo[2.2.1]hept-5-ene-2-carbonitrile, (5S)-bicyclo[2.2.1]hept-2-ene-5-carbonitrile
| Molecular Formula | C8H9N |
|---|---|
| Molecular Weight | 119.07 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 119.0735 |
| Heavy Atoms | 9 |
| Complexity | 196.0 |
Chemical Identifiers
| CAS Number | 3449-44-3 |
|---|---|
| SMILES | C1[C@@H](C2CC1C=C2)C#N |
| InChIKey | BMAXQTDMWYDIJX-KAVNDROISA-N |
Product Overview
(2s)-Bicyclo[2.2.1]hept-5-ene-2-carbonitrile (CAS 3449-44-3), with molecular formula C8H9N and molecular weight 119.07 g/mol. IUPAC: (2S)-bicyclo[2.2.1]hept-5-ene-2-carbonitrile.
Chemical Property Profile of (2s)-Bicyclo[2.2.1]hept-5-ene-2-carbonitrile
Property Insights of (2s)-Bicyclo[2.2.1]hept-5-ene-2-carbonitrile
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2s)-Bicyclo[2.2.1]hept-5-ene-2-carbonitrile. With a topological polar surface area (TPSA) of 23.8 Ų, (2s)-Bicyclo[2.2.1]hept-5-ene-2-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2s)-Bicyclo[2.2.1]hept-5-ene-2-carbonitrile 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 (2s)-Bicyclo[2.2.1]hept-5-ene-2-carbonitrile?
The CAS number of (2s)-Bicyclo[2.2.1]hept-5-ene-2-carbonitrile is 3449-44-3.
What is the molecular formula of (2s)-Bicyclo[2.2.1]hept-5-ene-2-carbonitrile?
The molecular formula of (2s)-Bicyclo[2.2.1]hept-5-ene-2-carbonitrile is C8H9N.
What is the molecular weight of (2s)-Bicyclo[2.2.1]hept-5-ene-2-carbonitrile?
The molecular weight of (2s)-Bicyclo[2.2.1]hept-5-ene-2-carbonitrile is 119.07 g/mol.
Where can I buy (2s)-Bicyclo[2.2.1]hept-5-ene-2-carbonitrile?
You can request a quote for (2s)-Bicyclo[2.2.1]hept-5-ene-2-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2s)-Bicyclo[2.2.1]hept-5-ene-2-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for (2s)-Bicyclo[2.2.1]hept-5-ene-2-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.