(Z)-2-(4-bromobenzylidene)-6-methoxybenzofuran-3(2H)-one
TL;DR: (Z)-2-(4-bromobenzylidene)-6-methoxybenzofuran-3(2H)-one (CAS 139276-18-9) is a chemical compound with molecular formula C16H11BrO3 and molecular weight 329.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2Z)-2-[(4-bromophenyl)methylidene]-6-methoxy-1-benzofuran-3-one
Also Known As: (Z)-2-(4-bromobenzylidene)-6-methoxybenzofuran-3(2H)-one, VU0616715-1, (2Z)-2-[(4-bromophenyl)methylidene]-6-methoxy-2,3-dihydro-1-benzofuran-3-one, F3385-0644, (2Z)-2-[(4-bromophenyl)methylidene]-6-methoxy-1-benzofuran-3-one
| Molecular Formula | C16H11BrO3 |
|---|---|
| Molecular Weight | 329.99 g/mol |
| LogP | 4.0739 |
| Topological Polar Surface Area | 35.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 329.98917 |
| Heavy Atoms | 20 |
| Complexity | 702.162 |
Chemical Identifiers
| CAS Number | 139276-18-9 |
|---|---|
| SMILES | COC1=CC2=C(C=C1)C(=O)/C(=C/C3=CC=C(C=C3)Br)/O2 |
Product Overview
(Z)-2-(4-bromobenzylidene)-6-methoxybenzofuran-3(2H)-one (CAS 139276-18-9), with molecular formula C16H11BrO3 and molecular weight 329.99 g/mol. IUPAC: (2Z)-2-[(4-bromophenyl)methylidene]-6-methoxy-1-benzofuran-3-one.
Chemical Property Profile of (Z)-2-(4-bromobenzylidene)-6-methoxybenzofuran-3(2H)-one
Property Insights of (Z)-2-(4-bromobenzylidene)-6-methoxybenzofuran-3(2H)-one
The XLogP value of 4.0739 indicates that (Z)-2-(4-bromobenzylidene)-6-methoxybenzofuran-3(2H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.53 Ų, (Z)-2-(4-bromobenzylidene)-6-methoxybenzofuran-3(2H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (Z)-2-(4-bromobenzylidene)-6-methoxybenzofuran-3(2H)-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 (Z)-2-(4-bromobenzylidene)-6-methoxybenzofuran-3(2H)-one?
The CAS number of (Z)-2-(4-bromobenzylidene)-6-methoxybenzofuran-3(2H)-one is 139276-18-9.
What is the molecular formula of (Z)-2-(4-bromobenzylidene)-6-methoxybenzofuran-3(2H)-one?
The molecular formula of (Z)-2-(4-bromobenzylidene)-6-methoxybenzofuran-3(2H)-one is C16H11BrO3.
What is the molecular weight of (Z)-2-(4-bromobenzylidene)-6-methoxybenzofuran-3(2H)-one?
The molecular weight of (Z)-2-(4-bromobenzylidene)-6-methoxybenzofuran-3(2H)-one is 329.99 g/mol.
Where can I buy (Z)-2-(4-bromobenzylidene)-6-methoxybenzofuran-3(2H)-one?
You can request a quote for (Z)-2-(4-bromobenzylidene)-6-methoxybenzofuran-3(2H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Z)-2-(4-bromobenzylidene)-6-methoxybenzofuran-3(2H)-one?
Yes, KEHONG BIO provides custom synthesis services for (Z)-2-(4-bromobenzylidene)-6-methoxybenzofuran-3(2H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.