3,6-Endoxo-3-methylhexahydrophthalic anhydride
TL;DR: 3,6-Endoxo-3-methylhexahydrophthalic anhydride (CAS 7251-71-0) is a chemical compound with molecular formula C9H10O4 and molecular weight 182.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-4,10-dioxatricyclo[5.2.1.02,6]decane-3,5-dione
Also Known As: methyl[?]dione, 4,7-Epoxyisobenzofuran-1,3-dione, hexahydro-4-methyl-, 4-Methylhexahydro-4,7-epoxyisobenzofuran-1,3-dione, 3,6-ENDOXO-3-METHYLHEXAHYDROPHTHALIC ANHYDRIDE, 4,7-Epoxyisobenzofuran-1,3-dione, hexahydro-4-methyl
| Molecular Formula | C9H10O4 |
|---|---|
| Molecular Weight | 182.06 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 182.0579 |
| Heavy Atoms | 13 |
| Complexity | 311.0 |
Chemical Identifiers
| CAS Number | 7251-71-0 |
|---|---|
| SMILES | CC12CCC(O1)C3C2C(=O)OC3=O |
| InChIKey | YRQMPRLOYHEHBF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,6-Endoxo-3-methylhexahydrophthalic anhydride (CAS 7251-71-0), with molecular formula C9H10O4 and molecular weight 182.06 g/mol. IUPAC: 1-methyl-4,10-dioxatricyclo[5.2.1.02,6]decane-3,5-dione.
Chemical Property Profile of 3,6-Endoxo-3-methylhexahydrophthalic anhydride
Property Insights of 3,6-Endoxo-3-methylhexahydrophthalic anhydride
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,6-Endoxo-3-methylhexahydrophthalic anhydride. With a topological polar surface area (TPSA) of 52.6 Ų, 3,6-Endoxo-3-methylhexahydrophthalic anhydride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,6-Endoxo-3-methylhexahydrophthalic anhydride 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 3,6-Endoxo-3-methylhexahydrophthalic anhydride?
The CAS number of 3,6-Endoxo-3-methylhexahydrophthalic anhydride is 7251-71-0.
What is the molecular formula of 3,6-Endoxo-3-methylhexahydrophthalic anhydride?
The molecular formula of 3,6-Endoxo-3-methylhexahydrophthalic anhydride is C9H10O4.
What is the molecular weight of 3,6-Endoxo-3-methylhexahydrophthalic anhydride?
The molecular weight of 3,6-Endoxo-3-methylhexahydrophthalic anhydride is 182.06 g/mol.
Where can I buy 3,6-Endoxo-3-methylhexahydrophthalic anhydride?
You can request a quote for 3,6-Endoxo-3-methylhexahydrophthalic anhydride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,6-Endoxo-3-methylhexahydrophthalic anhydride?
Yes, KEHONG BIO provides custom synthesis services for 3,6-Endoxo-3-methylhexahydrophthalic anhydride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.