methyl 5-(3-methyl-1-benzofuran-2-yl)hexa-2,5-dienoate
TL;DR: methyl 5-(3-methyl-1-benzofuran-2-yl)hexa-2,5-dienoate (CAS 55937-83-2) is a chemical compound with molecular formula C16H16O3 and molecular weight 256.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-(3-methyl-1-benzofuran-2-yl)hexa-2,5-dienoate
Also Known As: methyl 5-(3-methyl-1-benzofuran-2-yl)hexa-2,5-dienoate
| Molecular Formula | C16H16O3 |
|---|---|
| Molecular Weight | 256.11 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 39.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 256.10995 |
| Heavy Atoms | 19 |
| Complexity | 372.0 |
Chemical Identifiers
| CAS Number | 55937-83-2 |
|---|---|
| SMILES | CC1=C(OC2=CC=CC=C12)C(=C)CC=CC(=O)OC |
| InChIKey | HIRGBBVJXPJUHH-UHFFFAOYSA-N |
Product Overview
methyl 5-(3-methyl-1-benzofuran-2-yl)hexa-2,5-dienoate (CAS 55937-83-2), with molecular formula C16H16O3 and molecular weight 256.11 g/mol. IUPAC: methyl 5-(3-methyl-1-benzofuran-2-yl)hexa-2,5-dienoate.
Chemical Property Profile of methyl 5-(3-methyl-1-benzofuran-2-yl)hexa-2,5-dienoate
Property Insights of methyl 5-(3-methyl-1-benzofuran-2-yl)hexa-2,5-dienoate
The XLogP value of 4.3 indicates that methyl 5-(3-methyl-1-benzofuran-2-yl)hexa-2,5-dienoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.4 Ų, methyl 5-(3-methyl-1-benzofuran-2-yl)hexa-2,5-dienoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl 5-(3-methyl-1-benzofuran-2-yl)hexa-2,5-dienoate 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 methyl 5-(3-methyl-1-benzofuran-2-yl)hexa-2,5-dienoate?
The CAS number of methyl 5-(3-methyl-1-benzofuran-2-yl)hexa-2,5-dienoate is 55937-83-2.
What is the molecular formula of methyl 5-(3-methyl-1-benzofuran-2-yl)hexa-2,5-dienoate?
The molecular formula of methyl 5-(3-methyl-1-benzofuran-2-yl)hexa-2,5-dienoate is C16H16O3.
What is the molecular weight of methyl 5-(3-methyl-1-benzofuran-2-yl)hexa-2,5-dienoate?
The molecular weight of methyl 5-(3-methyl-1-benzofuran-2-yl)hexa-2,5-dienoate is 256.11 g/mol.
Where can I buy methyl 5-(3-methyl-1-benzofuran-2-yl)hexa-2,5-dienoate?
You can request a quote for methyl 5-(3-methyl-1-benzofuran-2-yl)hexa-2,5-dienoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 5-(3-methyl-1-benzofuran-2-yl)hexa-2,5-dienoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 5-(3-methyl-1-benzofuran-2-yl)hexa-2,5-dienoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.