3-chloro-4-fluoro-N-(thiophen-2-ylmethyl)aniline
TL;DR: 3-chloro-4-fluoro-N-(thiophen-2-ylmethyl)aniline (CAS 869949-39-3) is a chemical compound with molecular formula C11H9ClFNS and molecular weight 241.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-4-fluoro-N-(thiophen-2-ylmethyl)aniline
Also Known As: 3-chloro-4-fluoro-N-(thiophen-2-ylmethyl)aniline, (3-chloro-4-fluorophenyl)(2-thienylmethyl)amine, (3-Chloro-4-fluoro-phenyl)-thiophen-2-ylmethyl-amine, 2-Thiophenemethanamine, N-(3-chloro-4-fluorophenyl)-, N-(3-Chloro-4-fluorophenyl)-2-thiophenemethanamine
| Molecular Formula | C11H9ClFNS |
|---|---|
| Molecular Weight | 241.01 g/mol |
| LogP | 4.1527 |
| Topological Polar Surface Area | 12.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 241.01283 |
| Heavy Atoms | 15 |
| Complexity | 441.85352 |
Chemical Identifiers
| CAS Number | 869949-39-3 |
|---|---|
| SMILES | C1=CSC(=C1)CNC2=CC(=C(C=C2)F)Cl |
Product Overview
3-chloro-4-fluoro-N-(thiophen-2-ylmethyl)aniline (CAS 869949-39-3), with molecular formula C11H9ClFNS and molecular weight 241.01 g/mol. IUPAC: 3-chloro-4-fluoro-N-(thiophen-2-ylmethyl)aniline.
Chemical Property Profile of 3-chloro-4-fluoro-N-(thiophen-2-ylmethyl)aniline
Property Insights of 3-chloro-4-fluoro-N-(thiophen-2-ylmethyl)aniline
The XLogP value of 4.1527 indicates that 3-chloro-4-fluoro-N-(thiophen-2-ylmethyl)aniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.03 Ų, 3-chloro-4-fluoro-N-(thiophen-2-ylmethyl)aniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-chloro-4-fluoro-N-(thiophen-2-ylmethyl)aniline 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 3-chloro-4-fluoro-N-(thiophen-2-ylmethyl)aniline?
The CAS number of 3-chloro-4-fluoro-N-(thiophen-2-ylmethyl)aniline is 869949-39-3.
What is the molecular formula of 3-chloro-4-fluoro-N-(thiophen-2-ylmethyl)aniline?
The molecular formula of 3-chloro-4-fluoro-N-(thiophen-2-ylmethyl)aniline is C11H9ClFNS.
What is the molecular weight of 3-chloro-4-fluoro-N-(thiophen-2-ylmethyl)aniline?
The molecular weight of 3-chloro-4-fluoro-N-(thiophen-2-ylmethyl)aniline is 241.01 g/mol.
Where can I buy 3-chloro-4-fluoro-N-(thiophen-2-ylmethyl)aniline?
You can request a quote for 3-chloro-4-fluoro-N-(thiophen-2-ylmethyl)aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-chloro-4-fluoro-N-(thiophen-2-ylmethyl)aniline?
Yes, KEHONG BIO provides custom synthesis services for 3-chloro-4-fluoro-N-(thiophen-2-ylmethyl)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.