4-(Adamantan-1-yl)aniline
TL;DR: 4-(Adamantan-1-yl)aniline (CAS 1185296-73-4) is a chemical compound with molecular formula C16H21N and molecular weight 227.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(1-adamantyl)aniline
Also Known As: 4-(1-Adamantyl)aniline, 4-(adamantan-1-yl)aniline, p-adamantylaniline, 4-Adamantan-1-yl-phenylamine, p-(1-Adamantyl)aniline
| Molecular Formula | C16H21N |
|---|---|
| Molecular Weight | 227.17 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 26.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 227.1674 |
| Heavy Atoms | 17 |
| Complexity | 259.0 |
Chemical Identifiers
| CAS Number | 1185296-73-4 |
|---|---|
| SMILES | C1C2CC3CC1CC(C2)(C3)C4=CC=C(C=C4)N |
| InChIKey | JMBDVVUBXKXCIU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(Adamantan-1-yl)aniline (CAS 1185296-73-4), with molecular formula C16H21N and molecular weight 227.17 g/mol. IUPAC: 4-(1-adamantyl)aniline.
Chemical Property Profile of 4-(Adamantan-1-yl)aniline
Property Insights of 4-(Adamantan-1-yl)aniline
The XLogP value of 4.9 indicates that 4-(Adamantan-1-yl)aniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.0 Ų, 4-(Adamantan-1-yl)aniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Adamantan-1-yl)aniline has 1 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 4-(Adamantan-1-yl)aniline?
The CAS number of 4-(Adamantan-1-yl)aniline is 1185296-73-4.
What is the molecular formula of 4-(Adamantan-1-yl)aniline?
The molecular formula of 4-(Adamantan-1-yl)aniline is C16H21N.
What is the molecular weight of 4-(Adamantan-1-yl)aniline?
The molecular weight of 4-(Adamantan-1-yl)aniline is 227.17 g/mol.
Where can I buy 4-(Adamantan-1-yl)aniline?
You can request a quote for 4-(Adamantan-1-yl)aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Adamantan-1-yl)aniline?
Yes, KEHONG BIO provides custom synthesis services for 4-(Adamantan-1-yl)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.