4-methoxy-N-(thiophen-2-ylmethyl)aniline
TL;DR: 4-methoxy-N-(thiophen-2-ylmethyl)aniline (CAS 3139-29-5) is a chemical compound with molecular formula C12H13NOS and molecular weight 219.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methoxy-N-(thiophen-2-ylmethyl)aniline
Also Known As: 4-methoxy-N-(thiophen-2-ylmethyl)aniline, N- -N- amine, N-(4-methoxyphenyl)-N-(thien-2-ylmethyl)amine, 4-Methoxy-N-(2-thienylmethyl)aniline, 4-Methoxy-N-[(thiophen-2-yl)methyl]aniline
| Molecular Formula | C12H13NOS |
|---|---|
| Molecular Weight | 219.07 g/mol |
| LogP | 3.3688 |
| Topological Polar Surface Area | 21.26 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 219.0718 |
| Heavy Atoms | 15 |
| Complexity | 394.07028 |
Chemical Identifiers
| CAS Number | 3139-29-5 |
|---|---|
| SMILES | COC1=CC=C(C=C1)NCC2=CC=CS2 |
Product Overview
4-methoxy-N-(thiophen-2-ylmethyl)aniline (CAS 3139-29-5), with molecular formula C12H13NOS and molecular weight 219.07 g/mol. IUPAC: 4-methoxy-N-(thiophen-2-ylmethyl)aniline.
Chemical Property Profile of 4-methoxy-N-(thiophen-2-ylmethyl)aniline
Property Insights of 4-methoxy-N-(thiophen-2-ylmethyl)aniline
The XLogP value of 3.3688 indicates that 4-methoxy-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 21.26 Ų, 4-methoxy-N-(thiophen-2-ylmethyl)aniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-methoxy-N-(thiophen-2-ylmethyl)aniline has 1 hydrogen bond donor(s) and 3 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-methoxy-N-(thiophen-2-ylmethyl)aniline?
The CAS number of 4-methoxy-N-(thiophen-2-ylmethyl)aniline is 3139-29-5.
What is the molecular formula of 4-methoxy-N-(thiophen-2-ylmethyl)aniline?
The molecular formula of 4-methoxy-N-(thiophen-2-ylmethyl)aniline is C12H13NOS.
What is the molecular weight of 4-methoxy-N-(thiophen-2-ylmethyl)aniline?
The molecular weight of 4-methoxy-N-(thiophen-2-ylmethyl)aniline is 219.07 g/mol.
Where can I buy 4-methoxy-N-(thiophen-2-ylmethyl)aniline?
You can request a quote for 4-methoxy-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 4-methoxy-N-(thiophen-2-ylmethyl)aniline?
Yes, KEHONG BIO provides custom synthesis services for 4-methoxy-N-(thiophen-2-ylmethyl)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.