5-(4-bromophenyl)-3-(3-pyridinylmethylene)-2(3H)-furanone
TL;DR: 5-(4-bromophenyl)-3-(3-pyridinylmethylene)-2(3H)-furanone (CAS 5676-64-2) is a chemical compound with molecular formula C16H10BrNO2 and molecular weight 326.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3Z)-5-(4-bromophenyl)-3-(pyridin-3-ylmethylidene)furan-2-one
Also Known As: KST-1A6144, BAS 01969380, AB00093059-01, AH-487/11926018, (3z)-5-(4-bromophenyl)-3-(pyridin-3-ylmethylidene)furan-2(3h)-one
| Molecular Formula | C16H10BrNO2 |
|---|---|
| Molecular Weight | 326.99 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 39.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 326.9895 |
| Heavy Atoms | 20 |
| Complexity | 436.0 |
Chemical Identifiers
| CAS Number | 5676-64-2 |
|---|---|
| SMILES | C1=CC(=CN=C1)/C=C\2/C=C(OC2=O)C3=CC=C(C=C3)Br |
| InChIKey | MAJGGPLABDVJHD-JYRVWZFOSA-N |
Product Overview
5-(4-bromophenyl)-3-(3-pyridinylmethylene)-2(3H)-furanone (CAS 5676-64-2), with molecular formula C16H10BrNO2 and molecular weight 326.99 g/mol. IUPAC: (3Z)-5-(4-bromophenyl)-3-(pyridin-3-ylmethylidene)furan-2-one.
Chemical Property Profile of 5-(4-bromophenyl)-3-(3-pyridinylmethylene)-2(3H)-furanone
Property Insights of 5-(4-bromophenyl)-3-(3-pyridinylmethylene)-2(3H)-furanone
The XLogP value of 3.6 indicates that 5-(4-bromophenyl)-3-(3-pyridinylmethylene)-2(3H)-furanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.2 Ų, 5-(4-bromophenyl)-3-(3-pyridinylmethylene)-2(3H)-furanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(4-bromophenyl)-3-(3-pyridinylmethylene)-2(3H)-furanone 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 5-(4-bromophenyl)-3-(3-pyridinylmethylene)-2(3H)-furanone?
The CAS number of 5-(4-bromophenyl)-3-(3-pyridinylmethylene)-2(3H)-furanone is 5676-64-2.
What is the molecular formula of 5-(4-bromophenyl)-3-(3-pyridinylmethylene)-2(3H)-furanone?
The molecular formula of 5-(4-bromophenyl)-3-(3-pyridinylmethylene)-2(3H)-furanone is C16H10BrNO2.
What is the molecular weight of 5-(4-bromophenyl)-3-(3-pyridinylmethylene)-2(3H)-furanone?
The molecular weight of 5-(4-bromophenyl)-3-(3-pyridinylmethylene)-2(3H)-furanone is 326.99 g/mol.
Where can I buy 5-(4-bromophenyl)-3-(3-pyridinylmethylene)-2(3H)-furanone?
You can request a quote for 5-(4-bromophenyl)-3-(3-pyridinylmethylene)-2(3H)-furanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(4-bromophenyl)-3-(3-pyridinylmethylene)-2(3H)-furanone?
Yes, KEHONG BIO provides custom synthesis services for 5-(4-bromophenyl)-3-(3-pyridinylmethylene)-2(3H)-furanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.