5-chloro-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
TL;DR: 5-chloro-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione (CAS 22942-89-8) is a chemical compound with molecular formula C8H8ClNO2 and molecular weight 185.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-chloro-3a,4,7,7a-tetrahydroisoindole-1,3-dione
Also Known As: 5-chloro-3a,4,7,7a-tetrahydroisoindole-1,3-dione, 5-chloro-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
| Molecular Formula | C8H8ClNO2 |
|---|---|
| Molecular Weight | 185.02 g/mol |
| LogP | 0.7917 |
| Topological Polar Surface Area | 46.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 185.02435 |
| Heavy Atoms | 12 |
| Complexity | 284.78244 |
Chemical Identifiers
| CAS Number | 22942-89-8 |
|---|---|
| SMILES | C1C=C(CC2C1C(=O)NC2=O)Cl |
Product Overview
5-chloro-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione (CAS 22942-89-8), with molecular formula C8H8ClNO2 and molecular weight 185.02 g/mol. IUPAC: 5-chloro-3a,4,7,7a-tetrahydroisoindole-1,3-dione.
Chemical Property Profile of 5-chloro-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
Property Insights of 5-chloro-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
The XLogP value of 0.7917 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-chloro-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione. With a topological polar surface area (TPSA) of 46.17 Ų, 5-chloro-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-chloro-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione 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 5-chloro-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione?
The CAS number of 5-chloro-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione is 22942-89-8.
What is the molecular formula of 5-chloro-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione?
The molecular formula of 5-chloro-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione is C8H8ClNO2.
What is the molecular weight of 5-chloro-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione?
The molecular weight of 5-chloro-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione is 185.02 g/mol.
Where can I buy 5-chloro-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione?
You can request a quote for 5-chloro-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-chloro-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 5-chloro-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.