5-Acetamido-phthalide
TL;DR: 5-Acetamido-phthalide (CAS 207683-94-1) is a chemical compound with molecular formula C10H9NO3 and molecular weight 191.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1-oxo-3H-2-benzofuran-5-yl)acetamide
Also Known As: 5-acetamido-phthalide, 5-acetamidophthalide, N-(1-oxo-3H-2-benzofuran-5-yl)acetamide, N-(1-Oxo-1,3-dihydro-2-benzofuran-5-yl)acetamide, N-(1-Oxo-1,3-dihydroisobenzofuran-5-yl)acetamide
| Molecular Formula | C10H9NO3 |
|---|---|
| Molecular Weight | 191.06 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 191.05824 |
| Heavy Atoms | 14 |
| Complexity | 264.0 |
Chemical Identifiers
| CAS Number | 207683-94-1 |
|---|---|
| SMILES | CC(=O)NC1=CC2=C(C=C1)C(=O)OC2 |
| InChIKey | XBLPTNDIRVYALA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Acetamido-phthalide (CAS 207683-94-1), with molecular formula C10H9NO3 and molecular weight 191.06 g/mol. IUPAC: N-(1-oxo-3H-2-benzofuran-5-yl)acetamide.
Chemical Property Profile of 5-Acetamido-phthalide
Property Insights of 5-Acetamido-phthalide
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Acetamido-phthalide. With a topological polar surface area (TPSA) of 55.4 Ų, 5-Acetamido-phthalide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Acetamido-phthalide 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 5-Acetamido-phthalide?
The CAS number of 5-Acetamido-phthalide is 207683-94-1.
What is the molecular formula of 5-Acetamido-phthalide?
The molecular formula of 5-Acetamido-phthalide is C10H9NO3.
What is the molecular weight of 5-Acetamido-phthalide?
The molecular weight of 5-Acetamido-phthalide is 191.06 g/mol.
Where can I buy 5-Acetamido-phthalide?
You can request a quote for 5-Acetamido-phthalide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Acetamido-phthalide?
Yes, KEHONG BIO provides custom synthesis services for 5-Acetamido-phthalide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.