2-Butyl-2H-benzofuran-3-one
TL;DR: 2-Butyl-2H-benzofuran-3-one (CAS 85614-49-9) is a chemical compound with molecular formula C12H14O2 and molecular weight 190.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-butyl-1-benzofuran-3-one
Also Known As: 2-Butyl-2H-benzofuran-3-one, 2-butyl-1-benzofuran-3-one, EINECS 287-936-5, 2-Butyl-3(2H)-benzofuranone, 3(2H)-Benzofuranone,2-butyl
| Molecular Formula | C12H14O2 |
|---|---|
| Molecular Weight | 190.10 g/mol |
| LogP | 2.8205 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 190.09938 |
| Heavy Atoms | 14 |
| Complexity | 343.9299 |
Chemical Identifiers
| CAS Number | 85614-49-9 |
|---|---|
| SMILES | CCCCC1C(=O)C2=CC=CC=C2O1 |
Product Overview
2-Butyl-2H-benzofuran-3-one (CAS 85614-49-9), with molecular formula C12H14O2 and molecular weight 190.10 g/mol. IUPAC: 2-butyl-1-benzofuran-3-one.
Chemical Property Profile of 2-Butyl-2H-benzofuran-3-one
Property Insights of 2-Butyl-2H-benzofuran-3-one
The XLogP value of 2.8205 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Butyl-2H-benzofuran-3-one. With a topological polar surface area (TPSA) of 26.3 Ų, 2-Butyl-2H-benzofuran-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Butyl-2H-benzofuran-3-one has 0 hydrogen bond donor(s) and 2 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 2-Butyl-2H-benzofuran-3-one?
The CAS number of 2-Butyl-2H-benzofuran-3-one is 85614-49-9.
What is the molecular formula of 2-Butyl-2H-benzofuran-3-one?
The molecular formula of 2-Butyl-2H-benzofuran-3-one is C12H14O2.
What is the molecular weight of 2-Butyl-2H-benzofuran-3-one?
The molecular weight of 2-Butyl-2H-benzofuran-3-one is 190.10 g/mol.
Where can I buy 2-Butyl-2H-benzofuran-3-one?
You can request a quote for 2-Butyl-2H-benzofuran-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Butyl-2H-benzofuran-3-one?
Yes, KEHONG BIO provides custom synthesis services for 2-Butyl-2H-benzofuran-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.