5-Norbornene-2,3-diacetonitrile
TL;DR: 5-Norbornene-2,3-diacetonitrile (CAS 101832-55-7) is a chemical compound with molecular formula C11H12N2 and molecular weight 172.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-(cyanomethyl)-2-bicyclo[2.2.1]hept-5-enyl]acetonitrile
Also Known As: 5-Norbornene-2,3-diacetonitrile, Bicyclo(2.2.1)-5-heptene-2,2-diacetonitrile, Norborn-5-ene-2,3-diacetonitrile, Bicyclo[2.2.1]hept-5-ene-2,3-diacetonitrile, 2-[3-(cyanomethyl)-2-bicyclo[2.2.1]hept-5-enyl]acetonitrile
| Molecular Formula | C11H12N2 |
|---|---|
| Molecular Weight | 172.10 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 47.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 172.10005 |
| Heavy Atoms | 13 |
| Complexity | 292.0 |
Chemical Identifiers
| CAS Number | 101832-55-7 |
|---|---|
| SMILES | C1C2C=CC1C(C2CC#N)CC#N |
| InChIKey | FCVWUISGWGCJNK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Norbornene-2,3-diacetonitrile (CAS 101832-55-7), with molecular formula C11H12N2 and molecular weight 172.10 g/mol. IUPAC: 2-[3-(cyanomethyl)-2-bicyclo[2.2.1]hept-5-enyl]acetonitrile.
Chemical Property Profile of 5-Norbornene-2,3-diacetonitrile
Property Insights of 5-Norbornene-2,3-diacetonitrile
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Norbornene-2,3-diacetonitrile. With a topological polar surface area (TPSA) of 47.6 Ų, 5-Norbornene-2,3-diacetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Norbornene-2,3-diacetonitrile has 0 hydrogen bond donor(s) and 2 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 5-Norbornene-2,3-diacetonitrile?
The CAS number of 5-Norbornene-2,3-diacetonitrile is 101832-55-7.
What is the molecular formula of 5-Norbornene-2,3-diacetonitrile?
The molecular formula of 5-Norbornene-2,3-diacetonitrile is C11H12N2.
What is the molecular weight of 5-Norbornene-2,3-diacetonitrile?
The molecular weight of 5-Norbornene-2,3-diacetonitrile is 172.10 g/mol.
Where can I buy 5-Norbornene-2,3-diacetonitrile?
You can request a quote for 5-Norbornene-2,3-diacetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Norbornene-2,3-diacetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 5-Norbornene-2,3-diacetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.