![1(3H)-Isobenzofuranone,3-[[4-hydroxy-3,5-bis(1-methylethyl)phenyl]methylene]- structure](/static/products/6957/69574-11-4.webp)
1(3H)-Isobenzofuranone,3-[[4-hydroxy-3,5-bis(1-methylethyl)phenyl]methylene]-
TL;DR: 1(3H)-Isobenzofuranone,3-[[4-hydroxy-3,5-bis(1-methylethyl)phenyl]methylene]- (CAS 69574-11-4) is a chemical compound with molecular formula C21H22O3 and molecular weight 322.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[4-hydroxy-3,5-di(propan-2-yl)phenyl]methylidene]-2-benzofuran-1-one
Also Known As: (3E)-3-[[4-hydroxy-3,5-di(propan-2-yl)phenyl]methylidene]-2-, 3-[[4-hydroxy-3,5-di(propan-2-yl)phenyl]methylidene]-2-benzofuran-1-one, 1(3H)-ISOBENZOFURANONE,3-[[4-HYDROXY-3,5-BIS(1-METHYLETHYL)PHENYL]METHYLENE]-
| Molecular Formula | C21H22O3 |
|---|---|
| Molecular Weight | 322.16 g/mol |
| LogP | 5.4 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 322.1569 |
| Heavy Atoms | 24 |
| Complexity | 475.0 |
Chemical Identifiers
| CAS Number | 69574-11-4 |
|---|---|
| SMILES | CC(C)C1=CC(=CC(=C1O)C(C)C)C=C2C3=CC=CC=C3C(=O)O2 |
| InChIKey | ALLFLNROQAQEBN-UHFFFAOYSA-N |
Product Overview
1(3H)-Isobenzofuranone,3-[[4-hydroxy-3,5-bis(1-methylethyl)phenyl]methylene]- (CAS 69574-11-4), with molecular formula C21H22O3 and molecular weight 322.16 g/mol. IUPAC: 3-[[4-hydroxy-3,5-di(propan-2-yl)phenyl]methylidene]-2-benzofuran-1-one.
Chemical Property Profile of 1(3H)-Isobenzofuranone,3-[[4-hydroxy-3,5-bis(1-methylethyl)phenyl]methylene]-
Property Insights of 1(3H)-Isobenzofuranone,3-[[4-hydroxy-3,5-bis(1-methylethyl)phenyl]methylene]-
The XLogP value of 5.4 indicates that 1(3H)-Isobenzofuranone,3-[[4-hydroxy-3,5-bis(1-methylethyl)phenyl]methylene]- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, 1(3H)-Isobenzofuranone,3-[[4-hydroxy-3,5-bis(1-methylethyl)phenyl]methylene]- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1(3H)-Isobenzofuranone,3-[[4-hydroxy-3,5-bis(1-methylethyl)phenyl]methylene]- has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1(3H)-Isobenzofuranone,3-[[4-hydroxy-3,5-bis(1-methylethyl)phenyl]methylene]-?
The CAS number of 1(3H)-Isobenzofuranone,3-[[4-hydroxy-3,5-bis(1-methylethyl)phenyl]methylene]- is 69574-11-4.
What is the molecular formula of 1(3H)-Isobenzofuranone,3-[[4-hydroxy-3,5-bis(1-methylethyl)phenyl]methylene]-?
The molecular formula of 1(3H)-Isobenzofuranone,3-[[4-hydroxy-3,5-bis(1-methylethyl)phenyl]methylene]- is C21H22O3.
What is the molecular weight of 1(3H)-Isobenzofuranone,3-[[4-hydroxy-3,5-bis(1-methylethyl)phenyl]methylene]-?
The molecular weight of 1(3H)-Isobenzofuranone,3-[[4-hydroxy-3,5-bis(1-methylethyl)phenyl]methylene]- is 322.16 g/mol.
Where can I buy 1(3H)-Isobenzofuranone,3-[[4-hydroxy-3,5-bis(1-methylethyl)phenyl]methylene]-?
You can request a quote for 1(3H)-Isobenzofuranone,3-[[4-hydroxy-3,5-bis(1-methylethyl)phenyl]methylene]- 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-[[4-hydroxy-3,5-bis(1-methylethyl)phenyl]methylene]-?
Yes, KEHONG BIO provides custom synthesis services for 1(3H)-Isobenzofuranone,3-[[4-hydroxy-3,5-bis(1-methylethyl)phenyl]methylene]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.