1(3H)-Isobenzofuranone, 3-phenyl-3-(phenylmethyl)-
TL;DR: 1(3H)-Isobenzofuranone, 3-phenyl-3-(phenylmethyl)- (CAS 102242-28-4) is a chemical compound with molecular formula C21H16O2 and molecular weight 300.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzyl-3-phenyl-2-benzofuran-1-one
Also Known As: 3-Benzyl-3-phenylisobenzofuran-1(3H)-one, 3-benzyl-3-phenyl-2-benzofuran-1-one, 1(3H)-Isobenzofuranone, 3-phenyl-3-(phenylmethyl)-, 3-Phenyl-3-benzylisobenzofuran-1(3H)-one, 3-Benzyl-3-phenyl-2-benzofuran-1(3H)-one
| Molecular Formula | C21H16O2 |
|---|---|
| Molecular Weight | 300.12 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 300.11502 |
| Heavy Atoms | 23 |
| Complexity | 420.0 |
Chemical Identifiers
| CAS Number | 102242-28-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)CC2(C3=CC=CC=C3C(=O)O2)C4=CC=CC=C4 |
| InChIKey | FIOFTNINTRQDRO-UHFFFAOYSA-N |
Product Overview
1(3H)-Isobenzofuranone, 3-phenyl-3-(phenylmethyl)- (CAS 102242-28-4), with molecular formula C21H16O2 and molecular weight 300.12 g/mol. IUPAC: 3-benzyl-3-phenyl-2-benzofuran-1-one.
Chemical Property Profile of 1(3H)-Isobenzofuranone, 3-phenyl-3-(phenylmethyl)-
Property Insights of 1(3H)-Isobenzofuranone, 3-phenyl-3-(phenylmethyl)-
The XLogP value of 4.6 indicates that 1(3H)-Isobenzofuranone, 3-phenyl-3-(phenylmethyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 1(3H)-Isobenzofuranone, 3-phenyl-3-(phenylmethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1(3H)-Isobenzofuranone, 3-phenyl-3-(phenylmethyl)- 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 1(3H)-Isobenzofuranone, 3-phenyl-3-(phenylmethyl)-?
The CAS number of 1(3H)-Isobenzofuranone, 3-phenyl-3-(phenylmethyl)- is 102242-28-4.
What is the molecular formula of 1(3H)-Isobenzofuranone, 3-phenyl-3-(phenylmethyl)-?
The molecular formula of 1(3H)-Isobenzofuranone, 3-phenyl-3-(phenylmethyl)- is C21H16O2.
What is the molecular weight of 1(3H)-Isobenzofuranone, 3-phenyl-3-(phenylmethyl)-?
The molecular weight of 1(3H)-Isobenzofuranone, 3-phenyl-3-(phenylmethyl)- is 300.12 g/mol.
Where can I buy 1(3H)-Isobenzofuranone, 3-phenyl-3-(phenylmethyl)-?
You can request a quote for 1(3H)-Isobenzofuranone, 3-phenyl-3-(phenylmethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1(3H)-Isobenzofuranone, 3-phenyl-3-(phenylmethyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1(3H)-Isobenzofuranone, 3-phenyl-3-(phenylmethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.