1,2,3,6-Tetrahydrophthalimide
TL;DR: 1,2,3,6-Tetrahydrophthalimide (CAS 85-40-5) is a chemical compound with molecular formula C8H9NO2 and molecular weight 151.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3a,4,7,7a-tetrahydroisoindole-1,3-dione
Also Known As: Tetrahydrophthalimide, 1,2,3,6-TETRAHYDROPHTHALIMIDE, 3a,4,7,7a-Tetrahydro-1H-isoindole-1,3(2H)-dione, latanoprost, Tetrahydrophthalic acid imide
| Molecular Formula | C8H9NO2 |
|---|---|
| Molecular Weight | 151.06 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 46.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 151.06332 |
| Heavy Atoms | 11 |
| Complexity | 220.0 |
| Melting Point | 137 °C |
| Flash Point | 190 °C |
Chemical Identifiers
| CAS Number | 85-40-5 |
|---|---|
| SMILES | C1C=CCC2C1C(=O)NC2=O |
| InChIKey | CIFFBTOJCKSRJY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,2,3,6-Tetrahydrophthalimide (CAS 85-40-5), with molecular formula C8H9NO2 and molecular weight 151.06 g/mol. IUPAC: 3a,4,7,7a-tetrahydroisoindole-1,3-dione.
Chemical Property Profile of 1,2,3,6-Tetrahydrophthalimide
Property Insights of 1,2,3,6-Tetrahydrophthalimide
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2,3,6-Tetrahydrophthalimide. With a topological polar surface area (TPSA) of 46.2 Ų, 1,2,3,6-Tetrahydrophthalimide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2,3,6-Tetrahydrophthalimide has 1 hydrogen bond donor(s) and 2 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 1,2,3,6-Tetrahydrophthalimide?
The CAS number of 1,2,3,6-Tetrahydrophthalimide is 85-40-5.
What is the molecular formula of 1,2,3,6-Tetrahydrophthalimide?
The molecular formula of 1,2,3,6-Tetrahydrophthalimide is C8H9NO2.
What is the molecular weight of 1,2,3,6-Tetrahydrophthalimide?
The molecular weight of 1,2,3,6-Tetrahydrophthalimide is 151.06 g/mol.
Where can I buy 1,2,3,6-Tetrahydrophthalimide?
You can request a quote for 1,2,3,6-Tetrahydrophthalimide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2,3,6-Tetrahydrophthalimide?
Yes, KEHONG BIO provides custom synthesis services for 1,2,3,6-Tetrahydrophthalimide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.