1,3-Bis(4-aminophenyl)adamantane
TL;DR: 1,3-Bis(4-aminophenyl)adamantane (CAS 58788-79-7) is a chemical compound with molecular formula C22H26N2 and molecular weight 318.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[3-(4-aminophenyl)-1-adamantyl]aniline
Also Known As: 1,3-bis(4-aminophenyl)adamantane, 4,4'-(Adamantane-1,3-diyl)dianiline, 4-[3-(4-aminophenyl)-1-adamantyl]aniline, 1,3-bis-(4-Aminophenyl)adamantane, 1,3-Bis(4-Aminophenyl)Adamantine
| Molecular Formula | C22H26N2 |
|---|---|
| Molecular Weight | 318.21 g/mol |
| LogP | 5.5 |
| Topological Polar Surface Area | 52.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 318.2096 |
| Heavy Atoms | 24 |
| Complexity | 416.0 |
Chemical Identifiers
| CAS Number | 58788-79-7 |
|---|---|
| SMILES | C1C2CC3(CC1CC(C2)(C3)C4=CC=C(C=C4)N)C5=CC=C(C=C5)N |
| InChIKey | LALHUWOVOZGIAW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-Bis(4-aminophenyl)adamantane (CAS 58788-79-7), with molecular formula C22H26N2 and molecular weight 318.21 g/mol. IUPAC: 4-[3-(4-aminophenyl)-1-adamantyl]aniline.
Chemical Property Profile of 1,3-Bis(4-aminophenyl)adamantane
Property Insights of 1,3-Bis(4-aminophenyl)adamantane
The XLogP value of 5.5 indicates that 1,3-Bis(4-aminophenyl)adamantane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.0 Ų, 1,3-Bis(4-aminophenyl)adamantane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Bis(4-aminophenyl)adamantane has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,3-Bis(4-aminophenyl)adamantane?
The CAS number of 1,3-Bis(4-aminophenyl)adamantane is 58788-79-7.
What is the molecular formula of 1,3-Bis(4-aminophenyl)adamantane?
The molecular formula of 1,3-Bis(4-aminophenyl)adamantane is C22H26N2.
What is the molecular weight of 1,3-Bis(4-aminophenyl)adamantane?
The molecular weight of 1,3-Bis(4-aminophenyl)adamantane is 318.21 g/mol.
Where can I buy 1,3-Bis(4-aminophenyl)adamantane?
You can request a quote for 1,3-Bis(4-aminophenyl)adamantane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Bis(4-aminophenyl)adamantane?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Bis(4-aminophenyl)adamantane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.