7-Hydroxy-6-methoxyphthalide
TL;DR: 7-Hydroxy-6-methoxyphthalide (CAS 29809-16-3) is a chemical compound with molecular formula C9H8O4 and molecular weight 180.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-hydroxy-6-methoxy-3H-2-benzofuran-1-one
Also Known As: 7-Hydroxy-6-methoxyphthalide, Phthalide, 7-hydroxy-6-methoxy-, 7-hydroxy-6-methoxy-3H-2-benzofuran-1-one, 7-Hydroxy-6-methoxyisobenzofuran-1(3H)-one, 1(3H)-Isobenzofuranone, 7-hydroxy-6-methoxy-
| Molecular Formula | C9H8O4 |
|---|---|
| Molecular Weight | 180.04 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 55.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 180.04225 |
| Heavy Atoms | 13 |
| Complexity | 216.0 |
Chemical Identifiers
| CAS Number | 29809-16-3 |
|---|---|
| SMILES | COC1=C(C2=C(COC2=O)C=C1)O |
| InChIKey | YJYWSBFTOXPGTL-UHFFFAOYSA-N |
Product Overview
7-Hydroxy-6-methoxyphthalide (CAS 29809-16-3), with molecular formula C9H8O4 and molecular weight 180.04 g/mol. IUPAC: 7-hydroxy-6-methoxy-3H-2-benzofuran-1-one.
Chemical Property Profile of 7-Hydroxy-6-methoxyphthalide
Property Insights of 7-Hydroxy-6-methoxyphthalide
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-Hydroxy-6-methoxyphthalide. With a topological polar surface area (TPSA) of 55.8 Ų, 7-Hydroxy-6-methoxyphthalide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-Hydroxy-6-methoxyphthalide has 1 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 7-Hydroxy-6-methoxyphthalide?
The CAS number of 7-Hydroxy-6-methoxyphthalide is 29809-16-3.
What is the molecular formula of 7-Hydroxy-6-methoxyphthalide?
The molecular formula of 7-Hydroxy-6-methoxyphthalide is C9H8O4.
What is the molecular weight of 7-Hydroxy-6-methoxyphthalide?
The molecular weight of 7-Hydroxy-6-methoxyphthalide is 180.04 g/mol.
Where can I buy 7-Hydroxy-6-methoxyphthalide?
You can request a quote for 7-Hydroxy-6-methoxyphthalide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-Hydroxy-6-methoxyphthalide?
Yes, KEHONG BIO provides custom synthesis services for 7-Hydroxy-6-methoxyphthalide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.