高邻苯二甲酸酐
TL;DR: 高邻苯二甲酸酐 (CAS 703-59-3) is a chemical compound with molecular formula C9H6O3 and molecular weight 162.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
高邻苯二甲酸酐
4H-isochromene-1,3-dione
Also Known As: HOMOPHTHALIC ANHYDRIDE, Isochroman-1,3-dione, 1,3-Isochromandione, Homophthalic acid anhydride, 1H-2-Benzopyran-1,3(4H)-dione
| Molecular Formula | C9H6O3 |
|---|---|
| Molecular Weight | 162.03 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 162.0317 |
| Heavy Atoms | 12 |
| Complexity | 222.0 |
Chemical Identifiers
| CAS Number | 703-59-3 |
|---|---|
| SMILES | C1C2=CC=CC=C2C(=O)OC1=O |
| InChIKey | AKHSBAVQPIRVAG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
高邻苯二甲酸酐 (CAS 703-59-3), with molecular formula C9H6O3 and molecular weight 162.03 g/mol. IUPAC: 4H-isochromene-1,3-dione.
Chemical Property Profile of 高邻苯二甲酸酐
Property Insights of 高邻苯二甲酸酐
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 高邻苯二甲酸酐. With a topological polar surface area (TPSA) of 43.4 Ų, 高邻苯二甲酸酐 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 高邻苯二甲酸酐 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 高邻苯二甲酸酐?
The CAS number of 高邻苯二甲酸酐 is 703-59-3.
What is the molecular formula of 高邻苯二甲酸酐?
The molecular formula of 高邻苯二甲酸酐 is C9H6O3.
What is the molecular weight of 高邻苯二甲酸酐?
The molecular weight of 高邻苯二甲酸酐 is 162.03 g/mol.
Where can I buy 高邻苯二甲酸酐?
You can request a quote for 高邻苯二甲酸酐 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 高邻苯二甲酸酐?
Yes, KEHONG BIO provides custom synthesis services for 高邻苯二甲酸酐 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.