1,3-Isobenzofurandione, 5-(acetyloxy)-
TL;DR: 1,3-Isobenzofurandione, 5-(acetyloxy)- (CAS 27550-63-6) is a chemical compound with molecular formula C10H6O5 and molecular weight 206.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1,3-dioxo-2-benzofuran-5-yl) acetate
Also Known As: 5-acetoxyphthalic anhydride, 1,3-isobenzofurandione, 5-(acetyloxy)-, 4-acetoxy phthalic anhydride, 4-ACETOXYPHTHALIC ANHYDRIDE, 1,3-dioxo-1,3-dihydro-2-benzofuran-5-yl acetate
| Molecular Formula | C10H6O5 |
|---|---|
| Molecular Weight | 206.02 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 69.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 206.02153 |
| Heavy Atoms | 15 |
| Complexity | 322.0 |
Chemical Identifiers
| CAS Number | 27550-63-6 |
|---|---|
| SMILES | CC(=O)OC1=CC2=C(C=C1)C(=O)OC2=O |
| InChIKey | WOMFWGRSYUKSSE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-Isobenzofurandione, 5-(acetyloxy)- (CAS 27550-63-6), with molecular formula C10H6O5 and molecular weight 206.02 g/mol. IUPAC: (1,3-dioxo-2-benzofuran-5-yl) acetate.
Chemical Property Profile of 1,3-Isobenzofurandione, 5-(acetyloxy)-
Property Insights of 1,3-Isobenzofurandione, 5-(acetyloxy)-
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Isobenzofurandione, 5-(acetyloxy)-. The TPSA of 69.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Isobenzofurandione, 5-(acetyloxy)-. Following Lipinski's Rule of Five, 1,3-Isobenzofurandione, 5-(acetyloxy)- has 0 hydrogen bond donor(s) and 5 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 1,3-Isobenzofurandione, 5-(acetyloxy)-?
The CAS number of 1,3-Isobenzofurandione, 5-(acetyloxy)- is 27550-63-6.
What is the molecular formula of 1,3-Isobenzofurandione, 5-(acetyloxy)-?
The molecular formula of 1,3-Isobenzofurandione, 5-(acetyloxy)- is C10H6O5.
What is the molecular weight of 1,3-Isobenzofurandione, 5-(acetyloxy)-?
The molecular weight of 1,3-Isobenzofurandione, 5-(acetyloxy)- is 206.02 g/mol.
Where can I buy 1,3-Isobenzofurandione, 5-(acetyloxy)-?
You can request a quote for 1,3-Isobenzofurandione, 5-(acetyloxy)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Isobenzofurandione, 5-(acetyloxy)-?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Isobenzofurandione, 5-(acetyloxy)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.