5-chloro-2-methyl-N-(thiophen-2-ylmethyl)aniline
TL;DR: 5-chloro-2-methyl-N-(thiophen-2-ylmethyl)aniline (CAS 57280-85-0) is a chemical compound with molecular formula C12H12ClNS and molecular weight 237.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-chloro-2-methyl-N-(thiophen-2-ylmethyl)aniline
Also Known As: 5-chloro-2-methyl-N-(thiophen-2-ylmethyl)aniline, 5-chloro-2-methyl-N-[(thiophen-2-yl)methyl]aniline, 5-chloro-2-methyl-N-(thiophen-2-yl)methylaniline, (5-Chloro-2-methyl-phenyl)-thiophen-2-ylmethyl-amine
| Molecular Formula | C12H12ClNS |
|---|---|
| Molecular Weight | 237.04 g/mol |
| LogP | 4.32202 |
| Topological Polar Surface Area | 12.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 237.0379 |
| Heavy Atoms | 15 |
| Complexity | 436.8877 |
Chemical Identifiers
| CAS Number | 57280-85-0 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)Cl)NCC2=CC=CS2 |
Product Overview
5-chloro-2-methyl-N-(thiophen-2-ylmethyl)aniline (CAS 57280-85-0), with molecular formula C12H12ClNS and molecular weight 237.04 g/mol. IUPAC: 5-chloro-2-methyl-N-(thiophen-2-ylmethyl)aniline.
Chemical Property Profile of 5-chloro-2-methyl-N-(thiophen-2-ylmethyl)aniline
Property Insights of 5-chloro-2-methyl-N-(thiophen-2-ylmethyl)aniline
The XLogP value of 4.32202 indicates that 5-chloro-2-methyl-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, 5-chloro-2-methyl-N-(thiophen-2-ylmethyl)aniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-chloro-2-methyl-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 5-chloro-2-methyl-N-(thiophen-2-ylmethyl)aniline?
The CAS number of 5-chloro-2-methyl-N-(thiophen-2-ylmethyl)aniline is 57280-85-0.
What is the molecular formula of 5-chloro-2-methyl-N-(thiophen-2-ylmethyl)aniline?
The molecular formula of 5-chloro-2-methyl-N-(thiophen-2-ylmethyl)aniline is C12H12ClNS.
What is the molecular weight of 5-chloro-2-methyl-N-(thiophen-2-ylmethyl)aniline?
The molecular weight of 5-chloro-2-methyl-N-(thiophen-2-ylmethyl)aniline is 237.04 g/mol.
Where can I buy 5-chloro-2-methyl-N-(thiophen-2-ylmethyl)aniline?
You can request a quote for 5-chloro-2-methyl-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 5-chloro-2-methyl-N-(thiophen-2-ylmethyl)aniline?
Yes, KEHONG BIO provides custom synthesis services for 5-chloro-2-methyl-N-(thiophen-2-ylmethyl)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.