Octahydro-1,6-methano-naphthalene-1-carbonitrile
TL;DR: Octahydro-1,6-methano-naphthalene-1-carbonitrile (CAS 58433-00-4) is a chemical compound with molecular formula C12H17N and molecular weight 175.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tricyclo[5.3.1.03,8]undecane-3-carbonitrile
Also Known As: [?]carbonitrile|Octahydro-1,6-methano-naphthalene-1-carbonitrile|1,6-Methanonaphthalene-1(2H)-carbonitrile, octahydro-|Octahydro-1,6-methanonaphthalene-1(2H)-carbonitrile
| Molecular Formula | C12H17N |
|---|---|
| Molecular Weight | 175.14 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 175.1361 |
| Heavy Atoms | 13 |
| Complexity | 274.0 |
Chemical Identifiers
| CAS Number | 58433-00-4 |
|---|---|
| SMILES | C1CC2CC3CCC2C(C1)(C3)C#N |
| InChIKey | NWTMITAOVIRCDG-UHFFFAOYSA-N |
Product Overview
Octahydro-1,6-methano-naphthalene-1-carbonitrile (CAS 58433-00-4), with molecular formula C12H17N and molecular weight 175.14 g/mol. IUPAC: tricyclo[5.3.1.03,8]undecane-3-carbonitrile.
Chemical Property Profile of Octahydro-1,6-methano-naphthalene-1-carbonitrile
Property Insights of Octahydro-1,6-methano-naphthalene-1-carbonitrile
The XLogP value of 3.3 indicates that Octahydro-1,6-methano-naphthalene-1-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.8 Ų, Octahydro-1,6-methano-naphthalene-1-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Octahydro-1,6-methano-naphthalene-1-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 Octahydro-1,6-methano-naphthalene-1-carbonitrile?
The CAS number of Octahydro-1,6-methano-naphthalene-1-carbonitrile is 58433-00-4.
What is the molecular formula of Octahydro-1,6-methano-naphthalene-1-carbonitrile?
The molecular formula of Octahydro-1,6-methano-naphthalene-1-carbonitrile is C12H17N.
What is the molecular weight of Octahydro-1,6-methano-naphthalene-1-carbonitrile?
The molecular weight of Octahydro-1,6-methano-naphthalene-1-carbonitrile is 175.14 g/mol.
Where can I buy Octahydro-1,6-methano-naphthalene-1-carbonitrile?
You can request a quote for Octahydro-1,6-methano-naphthalene-1-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Octahydro-1,6-methano-naphthalene-1-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for Octahydro-1,6-methano-naphthalene-1-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.