苄基(2-呋喃甲基)胺
TL;DR: 苄基(2-呋喃甲基)胺 (CAS 4439-53-6) is a chemical compound with molecular formula C12H13NO and molecular weight 187.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
苄基(2-呋喃甲基)胺
N-(furan-2-ylmethyl)-1-phenylmethanamine
Also Known As: Benzyl-furan-2-ylmethyl-amine, Benzylfuran-2-ylmethylamine, N-benzyl-N-(2-furylmethyl)amine, Benzylfurfurylamine, Furfurylbenzylamine
| Molecular Formula | C12H13NO |
|---|---|
| Molecular Weight | 187.10 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 25.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 187.09972 |
| Heavy Atoms | 14 |
| Complexity | 154.0 |
Chemical Identifiers
| CAS Number | 4439-53-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)CNCC2=CC=CO2 |
| InChIKey | WDTGNYDDCJERKR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
苄基(2-呋喃甲基)胺 (CAS 4439-53-6), with molecular formula C12H13NO and molecular weight 187.10 g/mol. IUPAC: N-(furan-2-ylmethyl)-1-phenylmethanamine.
Chemical Property Profile of 苄基(2-呋喃甲基)胺
Property Insights of 苄基(2-呋喃甲基)胺
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 苄基(2-呋喃甲基)胺. With a topological polar surface area (TPSA) of 25.2 Ų, 苄基(2-呋喃甲基)胺 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 苄基(2-呋喃甲基)胺 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 苄基(2-呋喃甲基)胺?
The CAS number of 苄基(2-呋喃甲基)胺 is 4439-53-6.
What is the molecular formula of 苄基(2-呋喃甲基)胺?
The molecular formula of 苄基(2-呋喃甲基)胺 is C12H13NO.
What is the molecular weight of 苄基(2-呋喃甲基)胺?
The molecular weight of 苄基(2-呋喃甲基)胺 is 187.10 g/mol.
Where can I buy 苄基(2-呋喃甲基)胺?
You can request a quote for 苄基(2-呋喃甲基)胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 苄基(2-呋喃甲基)胺?
Yes, KEHONG BIO provides custom synthesis services for 苄基(2-呋喃甲基)胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.