(3S)-3-butyl-3-hydroxy-4,5-dihydro-2-benzofuran-1-one
TL;DR: (3S)-3-butyl-3-hydroxy-4,5-dihydro-2-benzofuran-1-one (CAS 94530-85-5) is a chemical compound with molecular formula C12H16O3 and molecular weight 208.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S)-3-butyl-3-hydroxy-4,5-dihydro-2-benzofuran-1-one
Also Known As: Senkyunolide G, (3S)-3-butyl-3-hydroxy-4,5-dihydro-2-benzofuran-1-one
| Molecular Formula | C12H16O3 |
|---|---|
| Molecular Weight | 208.11 g/mol |
| LogP | 2.0686 |
| Topological Polar Surface Area | 46.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 208.10994 |
| Heavy Atoms | 15 |
| Complexity | 340.7764 |
Chemical Identifiers
| CAS Number | 94530-85-5 |
|---|---|
| SMILES | CCCC[C@]1(C2=C(C=CCC2)C(=O)O1)O |
Product Overview
(3S)-3-butyl-3-hydroxy-4,5-dihydro-2-benzofuran-1-one (CAS 94530-85-5), with molecular formula C12H16O3 and molecular weight 208.11 g/mol. IUPAC: (3S)-3-butyl-3-hydroxy-4,5-dihydro-2-benzofuran-1-one.
Chemical Property Profile of (3S)-3-butyl-3-hydroxy-4,5-dihydro-2-benzofuran-1-one
Property Insights of (3S)-3-butyl-3-hydroxy-4,5-dihydro-2-benzofuran-1-one
The XLogP value of 2.0686 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3S)-3-butyl-3-hydroxy-4,5-dihydro-2-benzofuran-1-one. With a topological polar surface area (TPSA) of 46.53 Ų, (3S)-3-butyl-3-hydroxy-4,5-dihydro-2-benzofuran-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3S)-3-butyl-3-hydroxy-4,5-dihydro-2-benzofuran-1-one 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 (3S)-3-butyl-3-hydroxy-4,5-dihydro-2-benzofuran-1-one?
The CAS number of (3S)-3-butyl-3-hydroxy-4,5-dihydro-2-benzofuran-1-one is 94530-85-5.
What is the molecular formula of (3S)-3-butyl-3-hydroxy-4,5-dihydro-2-benzofuran-1-one?
The molecular formula of (3S)-3-butyl-3-hydroxy-4,5-dihydro-2-benzofuran-1-one is C12H16O3.
What is the molecular weight of (3S)-3-butyl-3-hydroxy-4,5-dihydro-2-benzofuran-1-one?
The molecular weight of (3S)-3-butyl-3-hydroxy-4,5-dihydro-2-benzofuran-1-one is 208.11 g/mol.
Where can I buy (3S)-3-butyl-3-hydroxy-4,5-dihydro-2-benzofuran-1-one?
You can request a quote for (3S)-3-butyl-3-hydroxy-4,5-dihydro-2-benzofuran-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3S)-3-butyl-3-hydroxy-4,5-dihydro-2-benzofuran-1-one?
Yes, KEHONG BIO provides custom synthesis services for (3S)-3-butyl-3-hydroxy-4,5-dihydro-2-benzofuran-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.