Phthalide, 3-ethoxy-
TL;DR: Phthalide, 3-ethoxy- (CAS 16824-02-5) is a chemical compound with molecular formula C10H10O3 and molecular weight 178.06299 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-ethoxy-3H-2-benzofuran-1-one
Also Known As: Phthalide, 3-ethoxy-, 3-Ethoxyphthalide, 3-ethoxy-3H-2-benzofuran-1-one, 3-ETHOXY-1(3H)-ISOBENZOFURANONE, 1(3H)-Isobenzofuranone, 3-ethoxy-
Technical Specifications
| Molecular Formula | C10H10O3 |
| Molecular Weight | 178.06299 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 178.06299 Da |
| Heavy Atoms | 13 |
| Complexity | 202.0 |
| SMILES | CCOC1C2=CC=CC=C2C(=O)O1 |
| InChIKey | VCBNFFOSUGMASJ-UHFFFAOYSA-N |
Chemical Property Profile of Phthalide, 3-ethoxy-
Property Insights of Phthalide, 3-ethoxy-
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phthalide, 3-ethoxy-. With a topological polar surface area (TPSA) of 35.5 Ų, Phthalide, 3-ethoxy- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phthalide, 3-ethoxy- has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Phthalide, 3-ethoxy-?
The CAS number of Phthalide, 3-ethoxy- is 16824-02-5.
What is the molecular formula of Phthalide, 3-ethoxy-?
The molecular formula of Phthalide, 3-ethoxy- is C10H10O3.
What is the molecular weight of Phthalide, 3-ethoxy-?
The molecular weight of Phthalide, 3-ethoxy- is 178.06299 g/mol.
Where can I buy Phthalide, 3-ethoxy-?
You can request a quote for Phthalide, 3-ethoxy- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Phthalide, 3-ethoxy-?
Yes, CoreyChem provides custom synthesis services for Phthalide, 3-ethoxy- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.