4-(1-Adamantyl)-2-bromoaniline
TL;DR: 4-(1-Adamantyl)-2-bromoaniline (CAS 1459-52-5) is a chemical compound with molecular formula C16H20BrN and molecular weight 305.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(1-adamantyl)-2-bromoaniline
Also Known As: 4-(1-adamantyl)-2-bromoaniline, 4-adamantanyl-2-bromophenylamine, 4-(1-adamantyl)-2-bromo-aniline, 2-bromo-4-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]dec-1-yl]aniline, 2-Bromo-4-tricyclo[3.3.1.13,7]dec-1-ylbenzenamine
| Molecular Formula | C16H20BrN |
|---|---|
| Molecular Weight | 305.08 g/mol |
| LogP | 4.4991 |
| Topological Polar Surface Area | 26.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 305.0779 |
| Heavy Atoms | 18 |
| Complexity | 458.58615 |
Chemical Identifiers
| CAS Number | 1459-52-5 |
|---|---|
| SMILES | C1C2CC3CC1CC(C2)(C3)C4=CC(=C(C=C4)N)Br |
Product Overview
4-(1-Adamantyl)-2-bromoaniline (CAS 1459-52-5), with molecular formula C16H20BrN and molecular weight 305.08 g/mol. IUPAC: 4-(1-adamantyl)-2-bromoaniline.
Chemical Property Profile of 4-(1-Adamantyl)-2-bromoaniline
Property Insights of 4-(1-Adamantyl)-2-bromoaniline
The XLogP value of 4.4991 indicates that 4-(1-Adamantyl)-2-bromoaniline 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-(1-Adamantyl)-2-bromoaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(1-Adamantyl)-2-bromoaniline 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-(1-Adamantyl)-2-bromoaniline?
The CAS number of 4-(1-Adamantyl)-2-bromoaniline is 1459-52-5.
What is the molecular formula of 4-(1-Adamantyl)-2-bromoaniline?
The molecular formula of 4-(1-Adamantyl)-2-bromoaniline is C16H20BrN.
What is the molecular weight of 4-(1-Adamantyl)-2-bromoaniline?
The molecular weight of 4-(1-Adamantyl)-2-bromoaniline is 305.08 g/mol.
Where can I buy 4-(1-Adamantyl)-2-bromoaniline?
You can request a quote for 4-(1-Adamantyl)-2-bromoaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(1-Adamantyl)-2-bromoaniline?
Yes, KEHONG BIO provides custom synthesis services for 4-(1-Adamantyl)-2-bromoaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.