![1(3H)-Isobenzofuranone, 3-[(4-methylphenyl)methylene]- structure](/static/products/2769/27695-13-2.webp)
1(3H)-Isobenzofuranone, 3-[(4-methylphenyl)methylene]-
TL;DR: 1(3H)-Isobenzofuranone, 3-[(4-methylphenyl)methylene]- (CAS 27695-13-2) is a chemical compound with molecular formula C16H12O2 and molecular weight 236.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-methylphenyl)methylidene]-2-benzofuran-1-one
Also Known As: 1(3H)-Isobenzofuranone, 3-[(4-methylphenyl)methylene]-, 3-(4-methylbenzyliden)-3h-isobenzofuran-1-one, 3-[(4-methylphenyl)methylidene]-2-benzofuran-1-one, 1(3H)-Isobenzofuranone,3-[(4-methylphenyl)methylene], 3-[(4-Methylphenyl)methylidene]-2-benzofuran-1(3H)-one
| Molecular Formula | C16H12O2 |
|---|---|
| Molecular Weight | 236.08 g/mol |
| LogP | 3.66352 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 236.08372 |
| Heavy Atoms | 18 |
| Complexity | 636.4015 |
Chemical Identifiers
| CAS Number | 27695-13-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C=C2C3=CC=CC=C3C(=O)O2 |
Product Overview
1(3H)-Isobenzofuranone, 3-[(4-methylphenyl)methylene]- (CAS 27695-13-2), with molecular formula C16H12O2 and molecular weight 236.08 g/mol. IUPAC: 3-[(4-methylphenyl)methylidene]-2-benzofuran-1-one.
Chemical Property Profile of 1(3H)-Isobenzofuranone, 3-[(4-methylphenyl)methylene]-
Property Insights of 1(3H)-Isobenzofuranone, 3-[(4-methylphenyl)methylene]-
The XLogP value of 3.66352 indicates that 1(3H)-Isobenzofuranone, 3-[(4-methylphenyl)methylene]- 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-[(4-methylphenyl)methylene]- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1(3H)-Isobenzofuranone, 3-[(4-methylphenyl)methylene]- 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-[(4-methylphenyl)methylene]-?
The CAS number of 1(3H)-Isobenzofuranone, 3-[(4-methylphenyl)methylene]- is 27695-13-2.
What is the molecular formula of 1(3H)-Isobenzofuranone, 3-[(4-methylphenyl)methylene]-?
The molecular formula of 1(3H)-Isobenzofuranone, 3-[(4-methylphenyl)methylene]- is C16H12O2.
What is the molecular weight of 1(3H)-Isobenzofuranone, 3-[(4-methylphenyl)methylene]-?
The molecular weight of 1(3H)-Isobenzofuranone, 3-[(4-methylphenyl)methylene]- is 236.08 g/mol.
Where can I buy 1(3H)-Isobenzofuranone, 3-[(4-methylphenyl)methylene]-?
You can request a quote for 1(3H)-Isobenzofuranone, 3-[(4-methylphenyl)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-methylphenyl)methylene]-?
Yes, KEHONG BIO provides custom synthesis services for 1(3H)-Isobenzofuranone, 3-[(4-methylphenyl)methylene]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.