(3Z)-3-butylidene-4-hydroxy-2-benzofuran-1(3H)-one
TL;DR: (3Z)-3-butylidene-4-hydroxy-2-benzofuran-1(3H)-one (CAS 102673-72-3) 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.
(3Z)-3-butylidene-4-hydroxy-2-benzofuran-1-one
Also Known As: 3-butylidene-4-hydroxyphthalide, 3-butylidene-4-hydroxy-2-benzofuran-1-one, (3Z)-3-butylidene-4-hydroxy-2-benzofuran-1(3H)-one, (3Z)-3-butylidene-4-hydroxy-2-benzofuran-1-one, 3-[(Z)-Butylidene]-4-hydroxyisobenzofuran-1(3H)-one
| Molecular Formula | C12H12O3 |
|---|---|
| Molecular Weight | 204.08 g/mol |
| LogP | 2.8 |
| 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 | 102673-72-3 |
|---|---|
| SMILES | CCC/C=C\1/C2=C(C=CC=C2O)C(=O)O1 |
| InChIKey | FCZPMYNMCGYTCA-YFHOEESVSA-N |
Product Overview
(3Z)-3-butylidene-4-hydroxy-2-benzofuran-1(3H)-one (CAS 102673-72-3), with molecular formula C12H12O3 and molecular weight 204.08 g/mol. IUPAC: (3Z)-3-butylidene-4-hydroxy-2-benzofuran-1-one.
Chemical Property Profile of (3Z)-3-butylidene-4-hydroxy-2-benzofuran-1(3H)-one
Property Insights of (3Z)-3-butylidene-4-hydroxy-2-benzofuran-1(3H)-one
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3Z)-3-butylidene-4-hydroxy-2-benzofuran-1(3H)-one. With a topological polar surface area (TPSA) of 46.5 Ų, (3Z)-3-butylidene-4-hydroxy-2-benzofuran-1(3H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3Z)-3-butylidene-4-hydroxy-2-benzofuran-1(3H)-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 (3Z)-3-butylidene-4-hydroxy-2-benzofuran-1(3H)-one?
The CAS number of (3Z)-3-butylidene-4-hydroxy-2-benzofuran-1(3H)-one is 102673-72-3.
What is the molecular formula of (3Z)-3-butylidene-4-hydroxy-2-benzofuran-1(3H)-one?
The molecular formula of (3Z)-3-butylidene-4-hydroxy-2-benzofuran-1(3H)-one is C12H12O3.
What is the molecular weight of (3Z)-3-butylidene-4-hydroxy-2-benzofuran-1(3H)-one?
The molecular weight of (3Z)-3-butylidene-4-hydroxy-2-benzofuran-1(3H)-one is 204.08 g/mol.
Where can I buy (3Z)-3-butylidene-4-hydroxy-2-benzofuran-1(3H)-one?
You can request a quote for (3Z)-3-butylidene-4-hydroxy-2-benzofuran-1(3H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3Z)-3-butylidene-4-hydroxy-2-benzofuran-1(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for (3Z)-3-butylidene-4-hydroxy-2-benzofuran-1(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.