![3-[(1-adamantylamino)methylene]-2-benzofuran-1(3H)-one structure](/static/products/4780/478065-92-8.webp)
3-[(1-adamantylamino)methylene]-2-benzofuran-1(3H)-one
TL;DR: 3-[(1-adamantylamino)methylene]-2-benzofuran-1(3H)-one (CAS 478065-92-8) is a chemical compound with molecular formula C19H21NO2 and molecular weight 295.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1-adamantyliminomethyl)-2-benzofuran-1-ol
Also Known As: 3-[(1-adamantylamino)methylene]-2-benzofuran-1(3H)-one, 3-(1-adamantyliminomethyl)-2-benzofuran-1-ol, 7D-147, 3-[(1-adamantylamino)methylidene]-2-benzofuran-1-one, 3-[(1-adamantylamino)methylidene]isobenzofuran-1-one
| Molecular Formula | C19H21NO2 |
|---|---|
| Molecular Weight | 295.16 g/mol |
| LogP | 4.5261 |
| Topological Polar Surface Area | 45.73 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 295.15723 |
| Heavy Atoms | 22 |
| Complexity | 722.5968 |
Chemical Identifiers
| CAS Number | 478065-92-8 |
|---|---|
| SMILES | C1C2CC3CC1CC(C2)(C3)N=CC4=C5C=CC=CC5=C(O4)O |
Product Overview
3-[(1-adamantylamino)methylene]-2-benzofuran-1(3H)-one (CAS 478065-92-8), with molecular formula C19H21NO2 and molecular weight 295.16 g/mol. IUPAC: 3-(1-adamantyliminomethyl)-2-benzofuran-1-ol.
Chemical Property Profile of 3-[(1-adamantylamino)methylene]-2-benzofuran-1(3H)-one
Property Insights of 3-[(1-adamantylamino)methylene]-2-benzofuran-1(3H)-one
The XLogP value of 4.5261 indicates that 3-[(1-adamantylamino)methylene]-2-benzofuran-1(3H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.73 Ų, 3-[(1-adamantylamino)methylene]-2-benzofuran-1(3H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[(1-adamantylamino)methylene]-2-benzofuran-1(3H)-one 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 3-[(1-adamantylamino)methylene]-2-benzofuran-1(3H)-one?
The CAS number of 3-[(1-adamantylamino)methylene]-2-benzofuran-1(3H)-one is 478065-92-8.
What is the molecular formula of 3-[(1-adamantylamino)methylene]-2-benzofuran-1(3H)-one?
The molecular formula of 3-[(1-adamantylamino)methylene]-2-benzofuran-1(3H)-one is C19H21NO2.
What is the molecular weight of 3-[(1-adamantylamino)methylene]-2-benzofuran-1(3H)-one?
The molecular weight of 3-[(1-adamantylamino)methylene]-2-benzofuran-1(3H)-one is 295.16 g/mol.
Where can I buy 3-[(1-adamantylamino)methylene]-2-benzofuran-1(3H)-one?
You can request a quote for 3-[(1-adamantylamino)methylene]-2-benzofuran-1(3H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[(1-adamantylamino)methylene]-2-benzofuran-1(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-[(1-adamantylamino)methylene]-2-benzofuran-1(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.