3-(1-Adamantyl)propanenitrile
TL;DR: 3-(1-Adamantyl)propanenitrile (CAS 52582-89-5) is a chemical compound with molecular formula C13H19N and molecular weight 189.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1-adamantyl)propanenitrile
Also Known As: 3-(1-adamantyl)propanenitrile, 3-(Adamantan-1-yl)propanenitrile, 1-Adamantanepropanenitrile, 3-adamantanylpropanenitrile, Adamantane-1-propanenitrile
| Molecular Formula | C13H19N |
|---|---|
| Molecular Weight | 189.15 g/mol |
| LogP | 3.50658 |
| Topological Polar Surface Area | 23.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 189.15175 |
| Heavy Atoms | 14 |
| Complexity | 238.16617 |
Chemical Identifiers
| CAS Number | 52582-89-5 |
|---|---|
| SMILES | C1C2CC3CC1CC(C2)(C3)CCC#N |
Product Overview
3-(1-Adamantyl)propanenitrile (CAS 52582-89-5), with molecular formula C13H19N and molecular weight 189.15 g/mol. IUPAC: 3-(1-adamantyl)propanenitrile.
Chemical Property Profile of 3-(1-Adamantyl)propanenitrile
Property Insights of 3-(1-Adamantyl)propanenitrile
The XLogP value of 3.50658 indicates that 3-(1-Adamantyl)propanenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.79 Ų, 3-(1-Adamantyl)propanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(1-Adamantyl)propanenitrile 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 3-(1-Adamantyl)propanenitrile?
The CAS number of 3-(1-Adamantyl)propanenitrile is 52582-89-5.
What is the molecular formula of 3-(1-Adamantyl)propanenitrile?
The molecular formula of 3-(1-Adamantyl)propanenitrile is C13H19N.
What is the molecular weight of 3-(1-Adamantyl)propanenitrile?
The molecular weight of 3-(1-Adamantyl)propanenitrile is 189.15 g/mol.
Where can I buy 3-(1-Adamantyl)propanenitrile?
You can request a quote for 3-(1-Adamantyl)propanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(1-Adamantyl)propanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-(1-Adamantyl)propanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.