1(3H)-Isobenzofuranone, 3-(benzoyloxy)-
TL;DR: 1(3H)-Isobenzofuranone, 3-(benzoyloxy)- (CAS 56973-60-5) is a chemical compound with molecular formula C15H10O4 and molecular weight 254.06 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) benzoate
Also Known As: 1(3H)-Isobenzofuranone, 3-(benzoyloxy)-, 3-benzoyloxy-1[3h]-isobenzofuranone, (3-oxo-1H-2-benzofuran-1-yl) benzoate, 3-oxo-1,3-dihydro-2-benzofuran-1-yl benzoate, 3-oxo-1,3-dihydro-1-isobenzofuranyl benzoate
| Molecular Formula | C15H10O4 |
|---|---|
| Molecular Weight | 254.06 g/mol |
| LogP | 2.7126 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 254.0579 |
| Heavy Atoms | 19 |
| Complexity | 633.60364 |
Chemical Identifiers
| CAS Number | 56973-60-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)OC2C3=CC=CC=C3C(=O)O2 |
Product Overview
1(3H)-Isobenzofuranone, 3-(benzoyloxy)- (CAS 56973-60-5), with molecular formula C15H10O4 and molecular weight 254.06 g/mol. IUPAC: (3-oxo-1H-2-benzofuran-1-yl) benzoate.
Chemical Property Profile of 1(3H)-Isobenzofuranone, 3-(benzoyloxy)-
Property Insights of 1(3H)-Isobenzofuranone, 3-(benzoyloxy)-
The XLogP value of 2.7126 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1(3H)-Isobenzofuranone, 3-(benzoyloxy)-. With a topological polar surface area (TPSA) of 52.6 Ų, 1(3H)-Isobenzofuranone, 3-(benzoyloxy)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1(3H)-Isobenzofuranone, 3-(benzoyloxy)- 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 1(3H)-Isobenzofuranone, 3-(benzoyloxy)-?
The CAS number of 1(3H)-Isobenzofuranone, 3-(benzoyloxy)- is 56973-60-5.
What is the molecular formula of 1(3H)-Isobenzofuranone, 3-(benzoyloxy)-?
The molecular formula of 1(3H)-Isobenzofuranone, 3-(benzoyloxy)- is C15H10O4.
What is the molecular weight of 1(3H)-Isobenzofuranone, 3-(benzoyloxy)-?
The molecular weight of 1(3H)-Isobenzofuranone, 3-(benzoyloxy)- is 254.06 g/mol.
Where can I buy 1(3H)-Isobenzofuranone, 3-(benzoyloxy)-?
You can request a quote for 1(3H)-Isobenzofuranone, 3-(benzoyloxy)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1(3H)-Isobenzofuranone, 3-(benzoyloxy)-?
Yes, KEHONG BIO provides custom synthesis services for 1(3H)-Isobenzofuranone, 3-(benzoyloxy)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.