4-chloro-N-(thiophen-3-ylmethyl)aniline
TL;DR: 4-chloro-N-(thiophen-3-ylmethyl)aniline (CAS 54675-56-8) is a chemical compound with molecular formula C11H10ClNS and molecular weight 223.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-N-(thiophen-3-ylmethyl)aniline
Also Known As: 4-chloro-N-(thiophen-3-ylmethyl)aniline, 4-chloro-N-[(thiophen-3-yl)methyl]aniline, (4-chlorophenyl)(3-thienylmethyl)amine, (4-chlorophenyl)(thien-3-yl)methylamine, BAS 12414538
| Molecular Formula | C11H10ClNS |
|---|---|
| Molecular Weight | 223.02 g/mol |
| LogP | 4.0136 |
| Topological Polar Surface Area | 12.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 223.02225 |
| Heavy Atoms | 14 |
| Complexity | 380.1796 |
Chemical Identifiers
| CAS Number | 54675-56-8 |
|---|---|
| SMILES | C1=CC(=CC=C1NCC2=CSC=C2)Cl |
Product Overview
4-chloro-N-(thiophen-3-ylmethyl)aniline (CAS 54675-56-8), with molecular formula C11H10ClNS and molecular weight 223.02 g/mol. IUPAC: 4-chloro-N-(thiophen-3-ylmethyl)aniline.
Chemical Property Profile of 4-chloro-N-(thiophen-3-ylmethyl)aniline
Property Insights of 4-chloro-N-(thiophen-3-ylmethyl)aniline
The XLogP value of 4.0136 indicates that 4-chloro-N-(thiophen-3-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, 4-chloro-N-(thiophen-3-ylmethyl)aniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-chloro-N-(thiophen-3-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 4-chloro-N-(thiophen-3-ylmethyl)aniline?
The CAS number of 4-chloro-N-(thiophen-3-ylmethyl)aniline is 54675-56-8.
What is the molecular formula of 4-chloro-N-(thiophen-3-ylmethyl)aniline?
The molecular formula of 4-chloro-N-(thiophen-3-ylmethyl)aniline is C11H10ClNS.
What is the molecular weight of 4-chloro-N-(thiophen-3-ylmethyl)aniline?
The molecular weight of 4-chloro-N-(thiophen-3-ylmethyl)aniline is 223.02 g/mol.
Where can I buy 4-chloro-N-(thiophen-3-ylmethyl)aniline?
You can request a quote for 4-chloro-N-(thiophen-3-ylmethyl)aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-chloro-N-(thiophen-3-ylmethyl)aniline?
Yes, KEHONG BIO provides custom synthesis services for 4-chloro-N-(thiophen-3-ylmethyl)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.