3-Acetoxyphthalide
TL;DR: 3-Acetoxyphthalide (CAS 30645-26-2) is a chemical compound with molecular formula C10H8O4 and molecular weight 192.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-oxo-1H-2-benzofuran-1-yl) acetate
Also Known As: 3-acetoxyphthalide, 3-Acetoxyisobenzofuran-1(3H)-one, (3-oxo-1H-2-benzofuran-1-yl) acetate, 3-oxo-1,3-dihydro-2-benzofuran-1-yl acetate, ( inverted exclamation markA)-3-phthalideyl acetate
| Molecular Formula | C10H8O4 |
|---|---|
| Molecular Weight | 192.04 g/mol |
| LogP | 1.4187 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 192.04225 |
| Heavy Atoms | 14 |
| Complexity | 394.8634 |
Chemical Identifiers
| CAS Number | 30645-26-2 |
|---|---|
| SMILES | CC(=O)OC1C2=CC=CC=C2C(=O)O1 |
Product Overview
3-Acetoxyphthalide (CAS 30645-26-2), with molecular formula C10H8O4 and molecular weight 192.04 g/mol. IUPAC: (3-oxo-1H-2-benzofuran-1-yl) acetate.
Chemical Property Profile of 3-Acetoxyphthalide
Property Insights of 3-Acetoxyphthalide
The XLogP value of 1.4187 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Acetoxyphthalide. With a topological polar surface area (TPSA) of 52.6 Ų, 3-Acetoxyphthalide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Acetoxyphthalide has 0 hydrogen bond donor(s) and 4 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-Acetoxyphthalide?
The CAS number of 3-Acetoxyphthalide is 30645-26-2.
What is the molecular formula of 3-Acetoxyphthalide?
The molecular formula of 3-Acetoxyphthalide is C10H8O4.
What is the molecular weight of 3-Acetoxyphthalide?
The molecular weight of 3-Acetoxyphthalide is 192.04 g/mol.
Where can I buy 3-Acetoxyphthalide?
You can request a quote for 3-Acetoxyphthalide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Acetoxyphthalide?
Yes, KEHONG BIO provides custom synthesis services for 3-Acetoxyphthalide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.