(E)-6,7-Dihydrobenzofuran-4(5H)-one oxime
TL;DR: (E)-6,7-Dihydrobenzofuran-4(5H)-one oxime (CAS 180339-33-7) is a chemical compound with molecular formula C8H9NO2 and molecular weight 151.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(6,7-dihydro-5H-1-benzofuran-4-ylidene)hydroxylamine
Also Known As: Hmnd@aatie^, 6,7-dihydro-1-benzofuran-4(5H)-one oxime, (E)-6,7-DIHYDROBENZOFURAN-4(5H)-ONE OXIME, N-(6,7-dihydro-5H-1-benzofuran-4-ylidene)hydroxylamine, N-(6,7-Dihydro-1-benzofuran-4(5H)-ylidene)hydroxylamine
| Molecular Formula | C8H9NO2 |
|---|---|
| Molecular Weight | 151.06 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 45.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 151.06332 |
| Heavy Atoms | 11 |
| Complexity | 179.0 |
Chemical Identifiers
| CAS Number | 180339-33-7 |
|---|---|
| SMILES | C1CC2=C(C=CO2)C(=NO)C1 |
| InChIKey | XLJSELFTFQSTNL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(E)-6,7-Dihydrobenzofuran-4(5H)-one oxime (CAS 180339-33-7), with molecular formula C8H9NO2 and molecular weight 151.06 g/mol. IUPAC: N-(6,7-dihydro-5H-1-benzofuran-4-ylidene)hydroxylamine.
Chemical Property Profile of (E)-6,7-Dihydrobenzofuran-4(5H)-one oxime
Property Insights of (E)-6,7-Dihydrobenzofuran-4(5H)-one oxime
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-6,7-Dihydrobenzofuran-4(5H)-one oxime. With a topological polar surface area (TPSA) of 45.7 Ų, (E)-6,7-Dihydrobenzofuran-4(5H)-one oxime exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-6,7-Dihydrobenzofuran-4(5H)-one oxime has 1 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 (E)-6,7-Dihydrobenzofuran-4(5H)-one oxime?
The CAS number of (E)-6,7-Dihydrobenzofuran-4(5H)-one oxime is 180339-33-7.
What is the molecular formula of (E)-6,7-Dihydrobenzofuran-4(5H)-one oxime?
The molecular formula of (E)-6,7-Dihydrobenzofuran-4(5H)-one oxime is C8H9NO2.
What is the molecular weight of (E)-6,7-Dihydrobenzofuran-4(5H)-one oxime?
The molecular weight of (E)-6,7-Dihydrobenzofuran-4(5H)-one oxime is 151.06 g/mol.
Where can I buy (E)-6,7-Dihydrobenzofuran-4(5H)-one oxime?
You can request a quote for (E)-6,7-Dihydrobenzofuran-4(5H)-one oxime directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-6,7-Dihydrobenzofuran-4(5H)-one oxime?
Yes, KEHONG BIO provides custom synthesis services for (E)-6,7-Dihydrobenzofuran-4(5H)-one oxime and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.