四氢邻苯二甲酸酐
TL;DR: 四氢邻苯二甲酸酐 (CAS 935-79-5) is a chemical compound with molecular formula C8H8O3 and molecular weight 152.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
四氢邻苯二甲酸酐
(3aR,7aS)-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione
Also Known As: cis-1,2,3,6-Tetrahydrophthalic anhydride, 2-Aminooctane, THPA, cis-4-Cyclohexene-1,2-dicarboxylic anhydride, Tetrahydrophthalic anhydride, cis-
| Molecular Formula | C8H8O3 |
|---|---|
| Molecular Weight | 152.05 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 152.04735 |
| Heavy Atoms | 11 |
| Complexity | 218.0 |
Chemical Identifiers
| CAS Number | 935-79-5 |
|---|---|
| SMILES | C1C=CC[C@H]2[C@@H]1C(=O)OC2=O |
| InChIKey | KMOUUZVZFBCRAM-OLQVQODUSA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
四氢邻苯二甲酸酐 (CAS 935-79-5), with molecular formula C8H8O3 and molecular weight 152.05 g/mol. IUPAC: (3aR,7aS)-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione.
Chemical Property Profile of 四氢邻苯二甲酸酐
Property Insights of 四氢邻苯二甲酸酐
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 四氢邻苯二甲酸酐. With a topological polar surface area (TPSA) of 43.4 Ų, 四氢邻苯二甲酸酐 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 四氢邻苯二甲酸酐 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 四氢邻苯二甲酸酐?
The CAS number of 四氢邻苯二甲酸酐 is 935-79-5.
What is the molecular formula of 四氢邻苯二甲酸酐?
The molecular formula of 四氢邻苯二甲酸酐 is C8H8O3.
What is the molecular weight of 四氢邻苯二甲酸酐?
The molecular weight of 四氢邻苯二甲酸酐 is 152.05 g/mol.
Where can I buy 四氢邻苯二甲酸酐?
You can request a quote for 四氢邻苯二甲酸酐 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 四氢邻苯二甲酸酐?
Yes, KEHONG BIO provides custom synthesis services for 四氢邻苯二甲酸酐 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.