![1(3H)-Isobenzofuranone, 3-[(benzoyloxy)methyl]-, (3S)- structure](/static/products/5285/528584-58-9.webp)
1(3H)-Isobenzofuranone, 3-[(benzoyloxy)methyl]-, (3S)-
TL;DR: 1(3H)-Isobenzofuranone, 3-[(benzoyloxy)methyl]-, (3S)- (CAS 528584-58-9) is a chemical compound with molecular formula C16H12O4 and molecular weight 268.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1S)-3-oxo-1H-2-benzofuran-1-yl]methyl benzoate
Also Known As: 1(3H)-Isobenzofuranone, 3-[(benzoyloxy)methyl]-, (3S)-, J1.854.879H, [(1S)-3-oxo-1H-2-benzofuran-1-yl]methyl benzoate, 2-Propenoic acid,tetrahydro-2H-pyran-2-yl ester, [(1S)-3-oxo-1H-isobenzofuran-1-yl]methyl benzoate
| Molecular Formula | C16H12O4 |
|---|---|
| Molecular Weight | 268.07 g/mol |
| LogP | 2.7551 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 268.07355 |
| Heavy Atoms | 20 |
| Complexity | 648.53625 |
Chemical Identifiers
| CAS Number | 528584-58-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)OC[C@@H]2C3=CC=CC=C3C(=O)O2 |
Product Overview
1(3H)-Isobenzofuranone, 3-[(benzoyloxy)methyl]-, (3S)- (CAS 528584-58-9), with molecular formula C16H12O4 and molecular weight 268.07 g/mol. IUPAC: [(1S)-3-oxo-1H-2-benzofuran-1-yl]methyl benzoate.
Chemical Property Profile of 1(3H)-Isobenzofuranone, 3-[(benzoyloxy)methyl]-, (3S)-
Property Insights of 1(3H)-Isobenzofuranone, 3-[(benzoyloxy)methyl]-, (3S)-
The XLogP value of 2.7551 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1(3H)-Isobenzofuranone, 3-[(benzoyloxy)methyl]-, (3S)-. With a topological polar surface area (TPSA) of 52.6 Ų, 1(3H)-Isobenzofuranone, 3-[(benzoyloxy)methyl]-, (3S)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1(3H)-Isobenzofuranone, 3-[(benzoyloxy)methyl]-, (3S)- 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)methyl]-, (3S)-?
The CAS number of 1(3H)-Isobenzofuranone, 3-[(benzoyloxy)methyl]-, (3S)- is 528584-58-9.
What is the molecular formula of 1(3H)-Isobenzofuranone, 3-[(benzoyloxy)methyl]-, (3S)-?
The molecular formula of 1(3H)-Isobenzofuranone, 3-[(benzoyloxy)methyl]-, (3S)- is C16H12O4.
What is the molecular weight of 1(3H)-Isobenzofuranone, 3-[(benzoyloxy)methyl]-, (3S)-?
The molecular weight of 1(3H)-Isobenzofuranone, 3-[(benzoyloxy)methyl]-, (3S)- is 268.07 g/mol.
Where can I buy 1(3H)-Isobenzofuranone, 3-[(benzoyloxy)methyl]-, (3S)-?
You can request a quote for 1(3H)-Isobenzofuranone, 3-[(benzoyloxy)methyl]-, (3S)- 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)methyl]-, (3S)-?
Yes, KEHONG BIO provides custom synthesis services for 1(3H)-Isobenzofuranone, 3-[(benzoyloxy)methyl]-, (3S)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.