4-(Adamantan-1-yl)-2,6-dichloroaniline
TL;DR: 4-(Adamantan-1-yl)-2,6-dichloroaniline (CAS 85911-38-2) is a chemical compound with molecular formula C16H19Cl2N and molecular weight 295.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(1-adamantyl)-2,6-dichloroaniline
Also Known As: 4-(adamantan-1-yl)-2,6-dichloroaniline, 4-(1-adamantyl)-2,6-dichloroaniline, 4-adamantanyl-2,6-dichlorophenylamine, 4-(1-adamantyl)-2,6-dichloro-aniline, BAS 00285068
| Molecular Formula | C16H19Cl2N |
|---|---|
| Molecular Weight | 295.09 g/mol |
| LogP | 5.0434 |
| Topological Polar Surface Area | 26.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 295.08945 |
| Heavy Atoms | 19 |
| Complexity | 479.2614 |
Chemical Identifiers
| CAS Number | 85911-38-2 |
|---|---|
| SMILES | C1C2CC3CC1CC(C2)(C3)C4=CC(=C(C(=C4)Cl)N)Cl |
Product Overview
4-(Adamantan-1-yl)-2,6-dichloroaniline (CAS 85911-38-2), with molecular formula C16H19Cl2N and molecular weight 295.09 g/mol. IUPAC: 4-(1-adamantyl)-2,6-dichloroaniline.
Chemical Property Profile of 4-(Adamantan-1-yl)-2,6-dichloroaniline
Property Insights of 4-(Adamantan-1-yl)-2,6-dichloroaniline
The XLogP value of 5.0434 indicates that 4-(Adamantan-1-yl)-2,6-dichloroaniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.02 Ų, 4-(Adamantan-1-yl)-2,6-dichloroaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Adamantan-1-yl)-2,6-dichloroaniline has 1 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-(Adamantan-1-yl)-2,6-dichloroaniline?
The CAS number of 4-(Adamantan-1-yl)-2,6-dichloroaniline is 85911-38-2.
What is the molecular formula of 4-(Adamantan-1-yl)-2,6-dichloroaniline?
The molecular formula of 4-(Adamantan-1-yl)-2,6-dichloroaniline is C16H19Cl2N.
What is the molecular weight of 4-(Adamantan-1-yl)-2,6-dichloroaniline?
The molecular weight of 4-(Adamantan-1-yl)-2,6-dichloroaniline is 295.09 g/mol.
Where can I buy 4-(Adamantan-1-yl)-2,6-dichloroaniline?
You can request a quote for 4-(Adamantan-1-yl)-2,6-dichloroaniline 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)-2,6-dichloroaniline?
Yes, KEHONG BIO provides custom synthesis services for 4-(Adamantan-1-yl)-2,6-dichloroaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.