1-N-Boc-3-Fluoroaniline
TL;DR: 1-N-Boc-3-Fluoroaniline (CAS 81740-18-3) is a chemical compound with molecular formula C11H14FNO2 and molecular weight 211.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl N-(3-fluorophenyl)carbamate
Also Known As: 1-N-Boc-3-Fluoroaniline, 1-N-Boc-3-fluoro-aniline, Adipoin, tert-butyl N-(3-fluorophenyl)carbamate, N-Boc-3-fluoroaniline
| Molecular Formula | C11H14FNO2 |
|---|---|
| Molecular Weight | 211.10 g/mol |
| LogP | 3.1727 |
| Topological Polar Surface Area | 38.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 211.10086 |
| Heavy Atoms | 15 |
| Complexity | 357.8507 |
Chemical Identifiers
| CAS Number | 81740-18-3 |
|---|---|
| SMILES | CC(C)(C)OC(=O)NC1=CC(=CC=C1)F |
Product Overview
1-N-Boc-3-Fluoroaniline (CAS 81740-18-3), with molecular formula C11H14FNO2 and molecular weight 211.10 g/mol. IUPAC: tert-butyl N-(3-fluorophenyl)carbamate.
Chemical Property Profile of 1-N-Boc-3-Fluoroaniline
Property Insights of 1-N-Boc-3-Fluoroaniline
The XLogP value of 3.1727 indicates that 1-N-Boc-3-Fluoroaniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.33 Ų, 1-N-Boc-3-Fluoroaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-N-Boc-3-Fluoroaniline has 1 hydrogen bond donor(s) and 2 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 1-N-Boc-3-Fluoroaniline?
The CAS number of 1-N-Boc-3-Fluoroaniline is 81740-18-3.
What is the molecular formula of 1-N-Boc-3-Fluoroaniline?
The molecular formula of 1-N-Boc-3-Fluoroaniline is C11H14FNO2.
What is the molecular weight of 1-N-Boc-3-Fluoroaniline?
The molecular weight of 1-N-Boc-3-Fluoroaniline is 211.10 g/mol.
Where can I buy 1-N-Boc-3-Fluoroaniline?
You can request a quote for 1-N-Boc-3-Fluoroaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-N-Boc-3-Fluoroaniline?
Yes, KEHONG BIO provides custom synthesis services for 1-N-Boc-3-Fluoroaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.