六氢邻苯二甲酸酐
TL;DR: 六氢邻苯二甲酸酐 (CAS 85-42-7) is a chemical compound with molecular formula C8H10O3 and molecular weight 154.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
六氢邻苯二甲酸酐
3a,4,5,6,7,7a-hexahydro-2-benzofuran-1,3-dione
Also Known As: Hexahydrophthalic anhydride, Hexahydroisobenzofuran-1,3-dione, HHPA, Lekutherm Hardener H, Araldite HT 907
| Molecular Formula | C8H10O3 |
|---|---|
| Molecular Weight | 154.06 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 154.06299 |
| Heavy Atoms | 11 |
| Complexity | 187.0 |
| Melting Point | 32 °C |
| Boiling Point | BP: 145 °C at 18 mm Hg |
| Density | 1.19 at 40 °C |
| Solubility | Miscible with benzene, toluene, acetone, carbon tetrachloride, chloroform, ethanol, and ethyl acetate; slightly soluble in petroleum ether |
| Flash Point | 149 °C (open cup) |
| Vapor Pressure | 0.05 [mmHg] |
Chemical Identifiers
| CAS Number | 85-42-7 |
|---|---|
| SMILES | C1CCC2C(C1)C(=O)OC2=O |
| InChIKey | MUTGBJKUEZFXGO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
六氢邻苯二甲酸酐 (CAS 85-42-7), with molecular formula C8H10O3 and molecular weight 154.06 g/mol. IUPAC: 3a,4,5,6,7,7a-hexahydro-2-benzofuran-1,3-dione.
Chemical Property Profile of 六氢邻苯二甲酸酐
Property Insights of 六氢邻苯二甲酸酐
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 六氢邻苯二甲酸酐. With a topological polar surface area (TPSA) of 43.4 Ų, 六氢邻苯二甲酸酐 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 六氢邻苯二甲酸酐 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 六氢邻苯二甲酸酐?
The CAS number of 六氢邻苯二甲酸酐 is 85-42-7.
What is the molecular formula of 六氢邻苯二甲酸酐?
The molecular formula of 六氢邻苯二甲酸酐 is C8H10O3.
What is the molecular weight of 六氢邻苯二甲酸酐?
The molecular weight of 六氢邻苯二甲酸酐 is 154.06 g/mol.
Where can I buy 六氢邻苯二甲酸酐?
You can request a quote for 六氢邻苯二甲酸酐 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 六氢邻苯二甲酸酐?
Yes, KEHONG BIO provides custom synthesis services for 六氢邻苯二甲酸酐 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.