3-ethynyl-N-(furan-2-ylmethyl)aniline
TL;DR: 3-ethynyl-N-(furan-2-ylmethyl)aniline (CAS 369363-98-4) is a chemical compound with molecular formula C13H11NO and molecular weight 197.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-ethynyl-N-(furan-2-ylmethyl)aniline
Also Known As: 3-ethynyl-N-(furan-2-ylmethyl)aniline, 3-Ethynyl-N-[(furan-2-yl)methyl]aniline, 3-ethynyl-N-(2-furylmethyl)aniline
| Molecular Formula | C13H11NO |
|---|---|
| Molecular Weight | 197.08 g/mol |
| LogP | 2.873 |
| Topological Polar Surface Area | 25.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 197.08406 |
| Heavy Atoms | 15 |
| Complexity | 465.53122 |
Chemical Identifiers
| CAS Number | 369363-98-4 |
|---|---|
| SMILES | C#CC1=CC(=CC=C1)NCC2=CC=CO2 |
Product Overview
3-ethynyl-N-(furan-2-ylmethyl)aniline (CAS 369363-98-4), with molecular formula C13H11NO and molecular weight 197.08 g/mol. IUPAC: 3-ethynyl-N-(furan-2-ylmethyl)aniline.
Chemical Property Profile of 3-ethynyl-N-(furan-2-ylmethyl)aniline
Property Insights of 3-ethynyl-N-(furan-2-ylmethyl)aniline
The XLogP value of 2.873 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-ethynyl-N-(furan-2-ylmethyl)aniline. With a topological polar surface area (TPSA) of 25.17 Ų, 3-ethynyl-N-(furan-2-ylmethyl)aniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-ethynyl-N-(furan-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 3-ethynyl-N-(furan-2-ylmethyl)aniline?
The CAS number of 3-ethynyl-N-(furan-2-ylmethyl)aniline is 369363-98-4.
What is the molecular formula of 3-ethynyl-N-(furan-2-ylmethyl)aniline?
The molecular formula of 3-ethynyl-N-(furan-2-ylmethyl)aniline is C13H11NO.
What is the molecular weight of 3-ethynyl-N-(furan-2-ylmethyl)aniline?
The molecular weight of 3-ethynyl-N-(furan-2-ylmethyl)aniline is 197.08 g/mol.
Where can I buy 3-ethynyl-N-(furan-2-ylmethyl)aniline?
You can request a quote for 3-ethynyl-N-(furan-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 3-ethynyl-N-(furan-2-ylmethyl)aniline?
Yes, KEHONG BIO provides custom synthesis services for 3-ethynyl-N-(furan-2-ylmethyl)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.