Nonyl 3-oxo-1,3-dihydro-2-benzofuran-5-carboxylate
TL;DR: Nonyl 3-oxo-1,3-dihydro-2-benzofuran-5-carboxylate (CAS 54699-44-4) is a chemical compound with molecular formula C18H24O4 and molecular weight 304.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
nonyl 3-oxo-1H-2-benzofuran-5-carboxylate
Also Known As: Nonyl 3-oxo-1,3-dihydro-2-benzofuran-5-carboxylate, nonyl 3-oxo-1H-2-benzofuran-5-carboxylate, 3-Oxo-1,3-dihydro-5-isobenzofurancarboxylicacidnonylester, 3-Oxo-1,3-dihydro-5-isobenzofurancarboxylic acid nonyl ester, 5-Isobenzofurancarboxylic acid, 1,3-dihydro-3-oxo-, nonyl ester
| Molecular Formula | C18H24O4 |
|---|---|
| Molecular Weight | 304.17 g/mol |
| LogP | 5.2 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 304.16745 |
| Heavy Atoms | 22 |
| Complexity | 366.0 |
Chemical Identifiers
| CAS Number | 54699-44-4 |
|---|---|
| SMILES | CCCCCCCCCOC(=O)C1=CC2=C(COC2=O)C=C1 |
| InChIKey | XJAXUZMCYRLFLG-UHFFFAOYSA-N |
Product Overview
Nonyl 3-oxo-1,3-dihydro-2-benzofuran-5-carboxylate (CAS 54699-44-4), with molecular formula C18H24O4 and molecular weight 304.17 g/mol. IUPAC: nonyl 3-oxo-1H-2-benzofuran-5-carboxylate.
Chemical Property Profile of Nonyl 3-oxo-1,3-dihydro-2-benzofuran-5-carboxylate
Property Insights of Nonyl 3-oxo-1,3-dihydro-2-benzofuran-5-carboxylate
The XLogP value of 5.2 indicates that Nonyl 3-oxo-1,3-dihydro-2-benzofuran-5-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, Nonyl 3-oxo-1,3-dihydro-2-benzofuran-5-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Nonyl 3-oxo-1,3-dihydro-2-benzofuran-5-carboxylate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Nonyl 3-oxo-1,3-dihydro-2-benzofuran-5-carboxylate?
The CAS number of Nonyl 3-oxo-1,3-dihydro-2-benzofuran-5-carboxylate is 54699-44-4.
What is the molecular formula of Nonyl 3-oxo-1,3-dihydro-2-benzofuran-5-carboxylate?
The molecular formula of Nonyl 3-oxo-1,3-dihydro-2-benzofuran-5-carboxylate is C18H24O4.
What is the molecular weight of Nonyl 3-oxo-1,3-dihydro-2-benzofuran-5-carboxylate?
The molecular weight of Nonyl 3-oxo-1,3-dihydro-2-benzofuran-5-carboxylate is 304.17 g/mol.
Where can I buy Nonyl 3-oxo-1,3-dihydro-2-benzofuran-5-carboxylate?
You can request a quote for Nonyl 3-oxo-1,3-dihydro-2-benzofuran-5-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Nonyl 3-oxo-1,3-dihydro-2-benzofuran-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Nonyl 3-oxo-1,3-dihydro-2-benzofuran-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.