![N-[[4-(anilinomethyl)-2,5-dimethylthiophen-3-yl]methyl]aniline structure](/static/products/1105/110590-87-9.webp)
N-[[4-(anilinomethyl)-2,5-dimethylthiophen-3-yl]methyl]aniline
TL;DR: N-[[4-(anilinomethyl)-2,5-dimethylthiophen-3-yl]methyl]aniline (CAS 110590-87-9) is a chemical compound with molecular formula C20H22N2S and molecular weight 322.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[4-(anilinomethyl)-2,5-dimethylthiophen-3-yl]methyl]aniline
Also Known As: TimTec1_002241, AB01319021-02, BRD-K87144740-001-01-0, N-[[4-(anilinomethyl)-2,5-dimethylthiophen-3-yl]methyl]aniline, A1378/0061722
| Molecular Formula | C20H22N2S |
|---|---|
| Molecular Weight | 322.15 g/mol |
| LogP | 5.4 |
| Topological Polar Surface Area | 52.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 322.15036 |
| Heavy Atoms | 23 |
| Complexity | 305.0 |
Chemical Identifiers
| CAS Number | 110590-87-9 |
|---|---|
| SMILES | CC1=C(C(=C(S1)C)CNC2=CC=CC=C2)CNC3=CC=CC=C3 |
| InChIKey | WOHYEOAXJCBLBD-UHFFFAOYSA-N |
Product Overview
N-[[4-(anilinomethyl)-2,5-dimethylthiophen-3-yl]methyl]aniline (CAS 110590-87-9), with molecular formula C20H22N2S and molecular weight 322.15 g/mol. IUPAC: N-[[4-(anilinomethyl)-2,5-dimethylthiophen-3-yl]methyl]aniline.
Chemical Property Profile of N-[[4-(anilinomethyl)-2,5-dimethylthiophen-3-yl]methyl]aniline
Property Insights of N-[[4-(anilinomethyl)-2,5-dimethylthiophen-3-yl]methyl]aniline
The XLogP value of 5.4 indicates that N-[[4-(anilinomethyl)-2,5-dimethylthiophen-3-yl]methyl]aniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.3 Ų, N-[[4-(anilinomethyl)-2,5-dimethylthiophen-3-yl]methyl]aniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-[[4-(anilinomethyl)-2,5-dimethylthiophen-3-yl]methyl]aniline has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-[[4-(anilinomethyl)-2,5-dimethylthiophen-3-yl]methyl]aniline?
The CAS number of N-[[4-(anilinomethyl)-2,5-dimethylthiophen-3-yl]methyl]aniline is 110590-87-9.
What is the molecular formula of N-[[4-(anilinomethyl)-2,5-dimethylthiophen-3-yl]methyl]aniline?
The molecular formula of N-[[4-(anilinomethyl)-2,5-dimethylthiophen-3-yl]methyl]aniline is C20H22N2S.
What is the molecular weight of N-[[4-(anilinomethyl)-2,5-dimethylthiophen-3-yl]methyl]aniline?
The molecular weight of N-[[4-(anilinomethyl)-2,5-dimethylthiophen-3-yl]methyl]aniline is 322.15 g/mol.
Where can I buy N-[[4-(anilinomethyl)-2,5-dimethylthiophen-3-yl]methyl]aniline?
You can request a quote for N-[[4-(anilinomethyl)-2,5-dimethylthiophen-3-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 N-[[4-(anilinomethyl)-2,5-dimethylthiophen-3-yl]methyl]aniline?
Yes, KEHONG BIO provides custom synthesis services for N-[[4-(anilinomethyl)-2,5-dimethylthiophen-3-yl]methyl]aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.