2-(1-Adamantyl)butanenitrile
TL;DR: 2-(1-Adamantyl)butanenitrile (CAS 227323-48-0) is a chemical compound with molecular formula C14H21N and molecular weight 203.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1-adamantyl)butanenitrile
Also Known As: 2-adamantanylbutanenitrile, 2-(1-adamantyl)butanenitrile, TimTec1_005874, 2-(adamantan-1-yl)butanenitrile, 2-(tricyclo[3.3.1.1~3,7~]dec-1-yl)butanenitrile
| Molecular Formula | C14H21N |
|---|---|
| Molecular Weight | 203.17 g/mol |
| LogP | 3.75258 |
| Topological Polar Surface Area | 23.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 203.1674 |
| Heavy Atoms | 15 |
| Complexity | 263.66656 |
Chemical Identifiers
| CAS Number | 227323-48-0 |
|---|---|
| SMILES | CCC(C#N)C12CC3CC(C1)CC(C3)C2 |
Product Overview
2-(1-Adamantyl)butanenitrile (CAS 227323-48-0), with molecular formula C14H21N and molecular weight 203.17 g/mol. IUPAC: 2-(1-adamantyl)butanenitrile.
Chemical Property Profile of 2-(1-Adamantyl)butanenitrile
Property Insights of 2-(1-Adamantyl)butanenitrile
The XLogP value of 3.75258 indicates that 2-(1-Adamantyl)butanenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.79 Ų, 2-(1-Adamantyl)butanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(1-Adamantyl)butanenitrile 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-(1-Adamantyl)butanenitrile?
The CAS number of 2-(1-Adamantyl)butanenitrile is 227323-48-0.
What is the molecular formula of 2-(1-Adamantyl)butanenitrile?
The molecular formula of 2-(1-Adamantyl)butanenitrile is C14H21N.
What is the molecular weight of 2-(1-Adamantyl)butanenitrile?
The molecular weight of 2-(1-Adamantyl)butanenitrile is 203.17 g/mol.
Where can I buy 2-(1-Adamantyl)butanenitrile?
You can request a quote for 2-(1-Adamantyl)butanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1-Adamantyl)butanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(1-Adamantyl)butanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.