N-(1-adamantylmethyl)-4-fluoroaniline
TL;DR: N-(1-adamantylmethyl)-4-fluoroaniline (CAS 698992-55-1) is a chemical compound with molecular formula C17H22FN and molecular weight 259.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1-adamantylmethyl)-4-fluoroaniline
Also Known As: N-(1-adamantylmethyl)-4-fluoroaniline, ZERO/006123, N-(Adamantan-1-ylmethyl)-4-fluoroaniline, (1-adamantylmethyl)(4-fluorophenyl)amine, N-(1-adamantylmethyl)-4-fluoro-aniline
| Molecular Formula | C17H22FN |
|---|---|
| Molecular Weight | 259.17 g/mol |
| LogP | 4.454 |
| Topological Polar Surface Area | 12.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 259.1736 |
| Heavy Atoms | 19 |
| Complexity | 429.37112 |
Chemical Identifiers
| CAS Number | 698992-55-1 |
|---|---|
| SMILES | C1C2CC3CC1CC(C2)(C3)CNC4=CC=C(C=C4)F |
Product Overview
N-(1-adamantylmethyl)-4-fluoroaniline (CAS 698992-55-1), with molecular formula C17H22FN and molecular weight 259.17 g/mol. IUPAC: N-(1-adamantylmethyl)-4-fluoroaniline.
Chemical Property Profile of N-(1-adamantylmethyl)-4-fluoroaniline
Property Insights of N-(1-adamantylmethyl)-4-fluoroaniline
The XLogP value of 4.454 indicates that N-(1-adamantylmethyl)-4-fluoroaniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.03 Ų, N-(1-adamantylmethyl)-4-fluoroaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(1-adamantylmethyl)-4-fluoroaniline 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 N-(1-adamantylmethyl)-4-fluoroaniline?
The CAS number of N-(1-adamantylmethyl)-4-fluoroaniline is 698992-55-1.
What is the molecular formula of N-(1-adamantylmethyl)-4-fluoroaniline?
The molecular formula of N-(1-adamantylmethyl)-4-fluoroaniline is C17H22FN.
What is the molecular weight of N-(1-adamantylmethyl)-4-fluoroaniline?
The molecular weight of N-(1-adamantylmethyl)-4-fluoroaniline is 259.17 g/mol.
Where can I buy N-(1-adamantylmethyl)-4-fluoroaniline?
You can request a quote for N-(1-adamantylmethyl)-4-fluoroaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(1-adamantylmethyl)-4-fluoroaniline?
Yes, KEHONG BIO provides custom synthesis services for N-(1-adamantylmethyl)-4-fluoroaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.