3-Butylidene-7-hydroxy-2-benzofuran-1-one
TL;DR: 3-Butylidene-7-hydroxy-2-benzofuran-1-one (CAS 93236-67-0) is a chemical compound with molecular formula C12H12O3 and molecular weight 204.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-butylidene-7-hydroxy-2-benzofuran-1-one
Also Known As: 3-Butylidene-7-hydroxyphthalide, 3-butylidene-7-hydroxy-2-benzofuran-1-one, 1(3H)-Isobenzofuranone, 3-butylidene-7-hydroxy-
| Molecular Formula | C12H12O3 |
|---|---|
| Molecular Weight | 204.08 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 204.07864 |
| Heavy Atoms | 15 |
| Complexity | 283.0 |
Chemical Identifiers
| CAS Number | 93236-67-0 |
|---|---|
| SMILES | CCCC=C1C2=C(C(=CC=C2)O)C(=O)O1 |
| InChIKey | XLFDJKJEYMKLJX-UHFFFAOYSA-N |
Product Overview
3-Butylidene-7-hydroxy-2-benzofuran-1-one (CAS 93236-67-0), with molecular formula C12H12O3 and molecular weight 204.08 g/mol. IUPAC: 3-butylidene-7-hydroxy-2-benzofuran-1-one.
Chemical Property Profile of 3-Butylidene-7-hydroxy-2-benzofuran-1-one
Property Insights of 3-Butylidene-7-hydroxy-2-benzofuran-1-one
The XLogP value of 3.4 indicates that 3-Butylidene-7-hydroxy-2-benzofuran-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, 3-Butylidene-7-hydroxy-2-benzofuran-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Butylidene-7-hydroxy-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 3-Butylidene-7-hydroxy-2-benzofuran-1-one?
The CAS number of 3-Butylidene-7-hydroxy-2-benzofuran-1-one is 93236-67-0.
What is the molecular formula of 3-Butylidene-7-hydroxy-2-benzofuran-1-one?
The molecular formula of 3-Butylidene-7-hydroxy-2-benzofuran-1-one is C12H12O3.
What is the molecular weight of 3-Butylidene-7-hydroxy-2-benzofuran-1-one?
The molecular weight of 3-Butylidene-7-hydroxy-2-benzofuran-1-one is 204.08 g/mol.
Where can I buy 3-Butylidene-7-hydroxy-2-benzofuran-1-one?
You can request a quote for 3-Butylidene-7-hydroxy-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 3-Butylidene-7-hydroxy-2-benzofuran-1-one?
Yes, KEHONG BIO provides custom synthesis services for 3-Butylidene-7-hydroxy-2-benzofuran-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.