N-(3-Ethynylphenyl)-3-furanmethanamine
TL;DR: N-(3-Ethynylphenyl)-3-furanmethanamine (CAS 369363-99-5) 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-3-ylmethyl)aniline
Also Known As: 3-ethynyl-N-(3-furylmethyl)aniline, N-(3-Ethynylphenyl)-3-furanmethanamine, 3-Ethynyl-N-[(furan-3-yl)methyl]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 | 369363-99-5 |
|---|---|
| SMILES | C#CC1=CC(=CC=C1)NCC2=COC=C2 |
Product Overview
N-(3-Ethynylphenyl)-3-furanmethanamine (CAS 369363-99-5), with molecular formula C13H11NO and molecular weight 197.08 g/mol. IUPAC: 3-ethynyl-N-(furan-3-ylmethyl)aniline.
Chemical Property Profile of N-(3-Ethynylphenyl)-3-furanmethanamine
Property Insights of N-(3-Ethynylphenyl)-3-furanmethanamine
The XLogP value of 2.873 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(3-Ethynylphenyl)-3-furanmethanamine. With a topological polar surface area (TPSA) of 25.17 Ų, N-(3-Ethynylphenyl)-3-furanmethanamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(3-Ethynylphenyl)-3-furanmethanamine 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 N-(3-Ethynylphenyl)-3-furanmethanamine?
The CAS number of N-(3-Ethynylphenyl)-3-furanmethanamine is 369363-99-5.
What is the molecular formula of N-(3-Ethynylphenyl)-3-furanmethanamine?
The molecular formula of N-(3-Ethynylphenyl)-3-furanmethanamine is C13H11NO.
What is the molecular weight of N-(3-Ethynylphenyl)-3-furanmethanamine?
The molecular weight of N-(3-Ethynylphenyl)-3-furanmethanamine is 197.08 g/mol.
Where can I buy N-(3-Ethynylphenyl)-3-furanmethanamine?
You can request a quote for N-(3-Ethynylphenyl)-3-furanmethanamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(3-Ethynylphenyl)-3-furanmethanamine?
Yes, KEHONG BIO provides custom synthesis services for N-(3-Ethynylphenyl)-3-furanmethanamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.