![(3z)-3-[(4-Methylphenyl)imino]-2-benzofuran-1(3h)-one structure](/static/products/1041/104121-46-2.webp)
(3z)-3-[(4-Methylphenyl)imino]-2-benzofuran-1(3h)-one
TL;DR: (3z)-3-[(4-Methylphenyl)imino]-2-benzofuran-1(3h)-one (CAS 104121-46-2) is a chemical compound with molecular formula C15H11NO2 and molecular weight 237.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-methylphenyl)imino-2-benzofuran-1-one
Also Known As: KST-1A0415, (3z)-3-[(4-methylphenyl)imino]-2-benzofuran-1(3h)-one, 3-(4-methylphenyl)imino-2-benzofuran-1-one, 3-[(4-Methylphenyl)imino]isobenzofuran-1(3H)-one, 3-[(4-methylphenyl)imino]-1,3-dihydro-2-benzofuran-1-one
| Molecular Formula | C15H11NO2 |
|---|---|
| Molecular Weight | 237.08 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 38.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 237.07898 |
| Heavy Atoms | 18 |
| Complexity | 356.0 |
Chemical Identifiers
| CAS Number | 104121-46-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N=C2C3=CC=CC=C3C(=O)O2 |
| InChIKey | DOAXVMSTPLVTNT-UHFFFAOYSA-N |
Product Overview
(3z)-3-[(4-Methylphenyl)imino]-2-benzofuran-1(3h)-one (CAS 104121-46-2), with molecular formula C15H11NO2 and molecular weight 237.08 g/mol. IUPAC: 3-(4-methylphenyl)imino-2-benzofuran-1-one.
Chemical Property Profile of (3z)-3-[(4-Methylphenyl)imino]-2-benzofuran-1(3h)-one
Property Insights of (3z)-3-[(4-Methylphenyl)imino]-2-benzofuran-1(3h)-one
The XLogP value of 3.5 indicates that (3z)-3-[(4-Methylphenyl)imino]-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 38.7 Ų, (3z)-3-[(4-Methylphenyl)imino]-2-benzofuran-1(3h)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3z)-3-[(4-Methylphenyl)imino]-2-benzofuran-1(3h)-one has 0 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 (3z)-3-[(4-Methylphenyl)imino]-2-benzofuran-1(3h)-one?
The CAS number of (3z)-3-[(4-Methylphenyl)imino]-2-benzofuran-1(3h)-one is 104121-46-2.
What is the molecular formula of (3z)-3-[(4-Methylphenyl)imino]-2-benzofuran-1(3h)-one?
The molecular formula of (3z)-3-[(4-Methylphenyl)imino]-2-benzofuran-1(3h)-one is C15H11NO2.
What is the molecular weight of (3z)-3-[(4-Methylphenyl)imino]-2-benzofuran-1(3h)-one?
The molecular weight of (3z)-3-[(4-Methylphenyl)imino]-2-benzofuran-1(3h)-one is 237.08 g/mol.
Where can I buy (3z)-3-[(4-Methylphenyl)imino]-2-benzofuran-1(3h)-one?
You can request a quote for (3z)-3-[(4-Methylphenyl)imino]-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 (3z)-3-[(4-Methylphenyl)imino]-2-benzofuran-1(3h)-one?
Yes, KEHONG BIO provides custom synthesis services for (3z)-3-[(4-Methylphenyl)imino]-2-benzofuran-1(3h)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.