Tricyclo(3.3.1.13,7)decane-1-acetonitrile
TL;DR: Tricyclo(3.3.1.13,7)decane-1-acetonitrile (CAS 16269-13-9) 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.
2-(1-adamantyl)acetonitrile
Also Known As: 1-ADAMANTANEACETONITRILE, 2-(adamantan-1-yl)acetonitrile, 1-adamantylacetonitrile, 2-(1-adamantyl)acetonitrile, 1-Adamantyl acetonitrile
| Molecular Formula | C12H17N |
|---|---|
| Molecular Weight | 175.14 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 175.1361 |
| Heavy Atoms | 13 |
| Complexity | 229.0 |
Chemical Identifiers
| CAS Number | 16269-13-9 |
|---|---|
| SMILES | C1C2CC3CC1CC(C2)(C3)CC#N |
| InChIKey | DXQVPXCZIRQITG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Tricyclo(3.3.1.13,7)decane-1-acetonitrile (CAS 16269-13-9), with molecular formula C12H17N and molecular weight 175.14 g/mol. IUPAC: 2-(1-adamantyl)acetonitrile.
Chemical Property Profile of Tricyclo(3.3.1.13,7)decane-1-acetonitrile
Property Insights of Tricyclo(3.3.1.13,7)decane-1-acetonitrile
The XLogP value of 3.4 indicates that Tricyclo(3.3.1.13,7)decane-1-acetonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.8 Ų, Tricyclo(3.3.1.13,7)decane-1-acetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Tricyclo(3.3.1.13,7)decane-1-acetonitrile 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 Tricyclo(3.3.1.13,7)decane-1-acetonitrile?
The CAS number of Tricyclo(3.3.1.13,7)decane-1-acetonitrile is 16269-13-9.
What is the molecular formula of Tricyclo(3.3.1.13,7)decane-1-acetonitrile?
The molecular formula of Tricyclo(3.3.1.13,7)decane-1-acetonitrile is C12H17N.
What is the molecular weight of Tricyclo(3.3.1.13,7)decane-1-acetonitrile?
The molecular weight of Tricyclo(3.3.1.13,7)decane-1-acetonitrile is 175.14 g/mol.
Where can I buy Tricyclo(3.3.1.13,7)decane-1-acetonitrile?
You can request a quote for Tricyclo(3.3.1.13,7)decane-1-acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tricyclo(3.3.1.13,7)decane-1-acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for Tricyclo(3.3.1.13,7)decane-1-acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.