3,6-二羟基邻苯二甲酰亚胺
TL;DR: 3,6-二羟基邻苯二甲酰亚胺 (CAS 51674-11-4) is a chemical compound with molecular formula C8H5NO4 and molecular weight 179.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,6-二羟基邻苯二甲酰亚胺
4,7-dihydroxyisoindole-1,3-dione
Also Known As: 3,6-Dihydroxyphthalimide, 4,7-dihydroxyisoindole-1,3-dione, Phthalimide, 3,6-dihydroxy-, 4,7-dihydroxyisoindoline-1,3-dione, 4,7-dihydroxy-1h-isoindole-1,3(2h)-dione
| Molecular Formula | C8H5NO4 |
|---|---|
| Molecular Weight | 179.02 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 86.6 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 179.02185 |
| Heavy Atoms | 13 |
| Complexity | 239.0 |
Chemical Identifiers
| CAS Number | 51674-11-4 |
|---|---|
| SMILES | C1=CC(=C2C(=C1O)C(=O)NC2=O)O |
| InChIKey | RTVQVYVJANLNSR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,6-二羟基邻苯二甲酰亚胺 (CAS 51674-11-4), with molecular formula C8H5NO4 and molecular weight 179.02 g/mol. IUPAC: 4,7-dihydroxyisoindole-1,3-dione.
Chemical Property Profile of 3,6-二羟基邻苯二甲酰亚胺
Property Insights of 3,6-二羟基邻苯二甲酰亚胺
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,6-二羟基邻苯二甲酰亚胺. The TPSA of 86.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,6-二羟基邻苯二甲酰亚胺. Following Lipinski's Rule of Five, 3,6-二羟基邻苯二甲酰亚胺 has 3 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 3,6-二羟基邻苯二甲酰亚胺?
The CAS number of 3,6-二羟基邻苯二甲酰亚胺 is 51674-11-4.
What is the molecular formula of 3,6-二羟基邻苯二甲酰亚胺?
The molecular formula of 3,6-二羟基邻苯二甲酰亚胺 is C8H5NO4.
What is the molecular weight of 3,6-二羟基邻苯二甲酰亚胺?
The molecular weight of 3,6-二羟基邻苯二甲酰亚胺 is 179.02 g/mol.
Where can I buy 3,6-二羟基邻苯二甲酰亚胺?
You can request a quote for 3,6-二羟基邻苯二甲酰亚胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,6-二羟基邻苯二甲酰亚胺?
Yes, KEHONG BIO provides custom synthesis services for 3,6-二羟基邻苯二甲酰亚胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.