3,7-Dimethyl-3-(1-naphthyl)-2-benzofuran-1(3H)-one
TL;DR: 3,7-Dimethyl-3-(1-naphthyl)-2-benzofuran-1(3H)-one (CAS 7499-62-9) is a chemical compound with molecular formula C20H16O2 and molecular weight 288.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,7-dimethyl-3-naphthalen-1-yl-2-benzofuran-1-one
Also Known As: 3,7-Dimethyl-3-(naphthalen-1-yl)isobenzofuran-1(3H)-one, NCI60_003890, 3,7-Dimethyl-3-(1-naphthyl)-2-benzofuran-1(3H)-one, 3,7-dimethyl-3-naphthalen-1-yl-2-benzofuran-1-one, 3,7-dimethyl-3-(1-naphthyl)isobenzofuran-1-one
| Molecular Formula | C20H16O2 |
|---|---|
| Molecular Weight | 288.12 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 288.11502 |
| Heavy Atoms | 22 |
| Complexity | 445.0 |
Chemical Identifiers
| CAS Number | 7499-62-9 |
|---|---|
| SMILES | CC1=C2C(=CC=C1)C(OC2=O)(C)C3=CC=CC4=CC=CC=C43 |
| InChIKey | IRFSCOBQNNMNKI-UHFFFAOYSA-N |
Product Overview
3,7-Dimethyl-3-(1-naphthyl)-2-benzofuran-1(3H)-one (CAS 7499-62-9), with molecular formula C20H16O2 and molecular weight 288.12 g/mol. IUPAC: 3,7-dimethyl-3-naphthalen-1-yl-2-benzofuran-1-one.
Chemical Property Profile of 3,7-Dimethyl-3-(1-naphthyl)-2-benzofuran-1(3H)-one
Property Insights of 3,7-Dimethyl-3-(1-naphthyl)-2-benzofuran-1(3H)-one
The XLogP value of 4.8 indicates that 3,7-Dimethyl-3-(1-naphthyl)-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 26.3 Ų, 3,7-Dimethyl-3-(1-naphthyl)-2-benzofuran-1(3H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,7-Dimethyl-3-(1-naphthyl)-2-benzofuran-1(3H)-one has 0 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 3,7-Dimethyl-3-(1-naphthyl)-2-benzofuran-1(3H)-one?
The CAS number of 3,7-Dimethyl-3-(1-naphthyl)-2-benzofuran-1(3H)-one is 7499-62-9.
What is the molecular formula of 3,7-Dimethyl-3-(1-naphthyl)-2-benzofuran-1(3H)-one?
The molecular formula of 3,7-Dimethyl-3-(1-naphthyl)-2-benzofuran-1(3H)-one is C20H16O2.
What is the molecular weight of 3,7-Dimethyl-3-(1-naphthyl)-2-benzofuran-1(3H)-one?
The molecular weight of 3,7-Dimethyl-3-(1-naphthyl)-2-benzofuran-1(3H)-one is 288.12 g/mol.
Where can I buy 3,7-Dimethyl-3-(1-naphthyl)-2-benzofuran-1(3H)-one?
You can request a quote for 3,7-Dimethyl-3-(1-naphthyl)-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 3,7-Dimethyl-3-(1-naphthyl)-2-benzofuran-1(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3,7-Dimethyl-3-(1-naphthyl)-2-benzofuran-1(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.