六氢-3-甲基邻苯二甲酸酐
TL;DR: 六氢-3-甲基邻苯二甲酸酐 (CAS 57110-29-9) is a chemical compound with molecular formula C9H12O3 and molecular weight 168.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
六氢-3-甲基邻苯二甲酸酐
4-methyl-3a,4,5,6,7,7a-hexahydro-2-benzofuran-1,3-dione
Also Known As: 3-Methylhexahydrophthalic anhydride, Hexahydro-3-methylphthalic anhydride, 4-Methylhexahydroisobenzofuran-1,3-dione, 4-methyl-octahydro-2-benzofuran-1,3-dione, 4-methylhexahydro-2-benzofuran-1,3-dione
| Molecular Formula | C9H12O3 |
|---|---|
| Molecular Weight | 168.08 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 168.07864 |
| Heavy Atoms | 12 |
| Complexity | 234.0 |
Chemical Identifiers
| CAS Number | 57110-29-9 |
|---|---|
| SMILES | CC1CCCC2C1C(=O)OC2=O |
| InChIKey | QXBYUPMEYVDXIQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
六氢-3-甲基邻苯二甲酸酐 (CAS 57110-29-9), with molecular formula C9H12O3 and molecular weight 168.08 g/mol. IUPAC: 4-methyl-3a,4,5,6,7,7a-hexahydro-2-benzofuran-1,3-dione.
Chemical Property Profile of 六氢-3-甲基邻苯二甲酸酐
Property Insights of 六氢-3-甲基邻苯二甲酸酐
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 六氢-3-甲基邻苯二甲酸酐. With a topological polar surface area (TPSA) of 43.4 Ų, 六氢-3-甲基邻苯二甲酸酐 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 六氢-3-甲基邻苯二甲酸酐 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
Frequently Asked Questions
What is the CAS number of 六氢-3-甲基邻苯二甲酸酐?
The CAS number of 六氢-3-甲基邻苯二甲酸酐 is 57110-29-9.
What is the molecular formula of 六氢-3-甲基邻苯二甲酸酐?
The molecular formula of 六氢-3-甲基邻苯二甲酸酐 is C9H12O3.
What is the molecular weight of 六氢-3-甲基邻苯二甲酸酐?
The molecular weight of 六氢-3-甲基邻苯二甲酸酐 is 168.08 g/mol.
Where can I buy 六氢-3-甲基邻苯二甲酸酐?
You can request a quote for 六氢-3-甲基邻苯二甲酸酐 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 六氢-3-甲基邻苯二甲酸酐?
Yes, KEHONG BIO provides custom synthesis services for 六氢-3-甲基邻苯二甲酸酐 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.