3(2H)-Benzofuranone, 6-methoxy-2-(phenylmethylene)-, (E)-
TL;DR: 3(2H)-Benzofuranone, 6-methoxy-2-(phenylmethylene)-, (E)- (CAS 4940-52-7) is a chemical compound with molecular formula C16H12O3 and molecular weight 252.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzylidene-6-methoxy-1-benzofuran-3-one
Also Known As: cis-2-arylmethylenecoumaran-3-one, 6-Methoxy-2-benzylidenecoumaran-3-one, 2-benzylidene-6-methoxy-1-benzofuran-3-one, 2-Benzylidene-6-methoxybenzofuran-3 -one, 2-benzylidene-6-methoxybenzofuran-3(2h)-one
| Molecular Formula | C16H12O3 |
|---|---|
| Molecular Weight | 252.08 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 252.07864 |
| Heavy Atoms | 19 |
| Complexity | 368.0 |
Chemical Identifiers
| CAS Number | 4940-52-7 |
|---|---|
| SMILES | COC1=CC2=C(C=C1)C(=O)C(=CC3=CC=CC=C3)O2 |
| InChIKey | LKWWJGGLULNRBP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3(2H)-Benzofuranone, 6-methoxy-2-(phenylmethylene)-, (E)- (CAS 4940-52-7), with molecular formula C16H12O3 and molecular weight 252.08 g/mol. IUPAC: 2-benzylidene-6-methoxy-1-benzofuran-3-one.
Chemical Property Profile of 3(2H)-Benzofuranone, 6-methoxy-2-(phenylmethylene)-, (E)-
Property Insights of 3(2H)-Benzofuranone, 6-methoxy-2-(phenylmethylene)-, (E)-
The XLogP value of 3.6 indicates that 3(2H)-Benzofuranone, 6-methoxy-2-(phenylmethylene)-, (E)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, 3(2H)-Benzofuranone, 6-methoxy-2-(phenylmethylene)-, (E)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3(2H)-Benzofuranone, 6-methoxy-2-(phenylmethylene)-, (E)- 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 3(2H)-Benzofuranone, 6-methoxy-2-(phenylmethylene)-, (E)-?
The CAS number of 3(2H)-Benzofuranone, 6-methoxy-2-(phenylmethylene)-, (E)- is 4940-52-7.
What is the molecular formula of 3(2H)-Benzofuranone, 6-methoxy-2-(phenylmethylene)-, (E)-?
The molecular formula of 3(2H)-Benzofuranone, 6-methoxy-2-(phenylmethylene)-, (E)- is C16H12O3.
What is the molecular weight of 3(2H)-Benzofuranone, 6-methoxy-2-(phenylmethylene)-, (E)-?
The molecular weight of 3(2H)-Benzofuranone, 6-methoxy-2-(phenylmethylene)-, (E)- is 252.08 g/mol.
Where can I buy 3(2H)-Benzofuranone, 6-methoxy-2-(phenylmethylene)-, (E)-?
You can request a quote for 3(2H)-Benzofuranone, 6-methoxy-2-(phenylmethylene)-, (E)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3(2H)-Benzofuranone, 6-methoxy-2-(phenylmethylene)-, (E)-?
Yes, KEHONG BIO provides custom synthesis services for 3(2H)-Benzofuranone, 6-methoxy-2-(phenylmethylene)-, (E)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.