![4-methyl-N-[(5-methylthiophen-2-yl)methyl]aniline structure](/static/products/513/51306-05-9.png)
4-methyl-N-[(5-methylthiophen-2-yl)methyl]aniline
TL;DR: 4-methyl-N-[(5-methylthiophen-2-yl)methyl]aniline (CAS 51306-05-9) is a chemical compound with molecular formula C13H15NS and molecular weight 217.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methyl-N-[(5-methylthiophen-2-yl)methyl]aniline
Also Known As: 4-methyl-N-[(5-methylthiophen-2-yl)methyl]aniline, (5-Methyl-thiophen-2-ylmethyl)-p-tolyl-amine, ASN 12420233
| Molecular Formula | C13H15NS |
|---|---|
| Molecular Weight | 217.09 g/mol |
| LogP | 3.97704 |
| Topological Polar Surface Area | 12.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 217.09251 |
| Heavy Atoms | 15 |
| Complexity | 428.05154 |
Chemical Identifiers
| CAS Number | 51306-05-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)NCC2=CC=C(S2)C |
Product Overview
4-methyl-N-[(5-methylthiophen-2-yl)methyl]aniline (CAS 51306-05-9), with molecular formula C13H15NS and molecular weight 217.09 g/mol. IUPAC: 4-methyl-N-[(5-methylthiophen-2-yl)methyl]aniline.
Chemical Property Profile of 4-methyl-N-[(5-methylthiophen-2-yl)methyl]aniline
Property Insights of 4-methyl-N-[(5-methylthiophen-2-yl)methyl]aniline
The XLogP value of 3.97704 indicates that 4-methyl-N-[(5-methylthiophen-2-yl)methyl]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-methyl-N-[(5-methylthiophen-2-yl)methyl]aniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-methyl-N-[(5-methylthiophen-2-yl)methyl]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-methyl-N-[(5-methylthiophen-2-yl)methyl]aniline?
The CAS number of 4-methyl-N-[(5-methylthiophen-2-yl)methyl]aniline is 51306-05-9.
What is the molecular formula of 4-methyl-N-[(5-methylthiophen-2-yl)methyl]aniline?
The molecular formula of 4-methyl-N-[(5-methylthiophen-2-yl)methyl]aniline is C13H15NS.
What is the molecular weight of 4-methyl-N-[(5-methylthiophen-2-yl)methyl]aniline?
The molecular weight of 4-methyl-N-[(5-methylthiophen-2-yl)methyl]aniline is 217.09 g/mol.
Where can I buy 4-methyl-N-[(5-methylthiophen-2-yl)methyl]aniline?
You can request a quote for 4-methyl-N-[(5-methylthiophen-2-yl)methyl]aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-methyl-N-[(5-methylthiophen-2-yl)methyl]aniline?
Yes, KEHONG BIO provides custom synthesis services for 4-methyl-N-[(5-methylthiophen-2-yl)methyl]aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.