3-Hydroperoxy-3-methylphthalide
TL;DR: 3-Hydroperoxy-3-methylphthalide (CAS 90094-81-8) 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.
3-hydroperoxy-3-methyl-2-benzofuran-1-one
Also Known As: 3-Hydroperoxy-3-methylphthalide, 3 HMP, 3-HMP, 3-hydroperoxy-3-methyl-2-benzofuran-1-one, 1 -Isobenzofuranone,3-hydroperoxy-3-methyl-
| Molecular Formula | C9H8O4 |
|---|---|
| Molecular Weight | 180.04 g/mol |
| LogP | 0.8 |
| 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 | 228.0 |
Chemical Identifiers
| CAS Number | 90094-81-8 |
|---|---|
| SMILES | CC1(C2=CC=CC=C2C(=O)O1)OO |
| InChIKey | UFQRCNSLWOCOQC-UHFFFAOYSA-N |
Product Overview
3-Hydroperoxy-3-methylphthalide (CAS 90094-81-8), with molecular formula C9H8O4 and molecular weight 180.04 g/mol. IUPAC: 3-hydroperoxy-3-methyl-2-benzofuran-1-one.
Chemical Property Profile of 3-Hydroperoxy-3-methylphthalide
Property Insights of 3-Hydroperoxy-3-methylphthalide
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Hydroperoxy-3-methylphthalide. With a topological polar surface area (TPSA) of 55.8 Ų, 3-Hydroperoxy-3-methylphthalide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Hydroperoxy-3-methylphthalide 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 3-Hydroperoxy-3-methylphthalide?
The CAS number of 3-Hydroperoxy-3-methylphthalide is 90094-81-8.
What is the molecular formula of 3-Hydroperoxy-3-methylphthalide?
The molecular formula of 3-Hydroperoxy-3-methylphthalide is C9H8O4.
What is the molecular weight of 3-Hydroperoxy-3-methylphthalide?
The molecular weight of 3-Hydroperoxy-3-methylphthalide is 180.04 g/mol.
Where can I buy 3-Hydroperoxy-3-methylphthalide?
You can request a quote for 3-Hydroperoxy-3-methylphthalide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Hydroperoxy-3-methylphthalide?
Yes, KEHONG BIO provides custom synthesis services for 3-Hydroperoxy-3-methylphthalide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.