2-Benzyl-5-chloro-3a,4,7,7a-tetrahydroisoindole-1,3-dione
TL;DR: 2-Benzyl-5-chloro-3a,4,7,7a-tetrahydroisoindole-1,3-dione (CAS 22942-88-7) is a chemical compound with molecular formula C15H14ClNO2 and molecular weight 275.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzyl-5-chloro-3a,4,7,7a-tetrahydroisoindole-1,3-dione
Also Known As: AB00106997-01, 2-benzyl-5-chloro-3a,4,7,7a-tetrahydroisoindole-1,3-dione, 5-Chloro-3a,4,7,7a-tetrahydro-2-(phenylmethyl)-1H-isoindole-1,3(2H)-dione, 2-benzyl-5-chloro-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
| Molecular Formula | C15H14ClNO2 |
|---|---|
| Molecular Weight | 275.07 g/mol |
| LogP | 2.7043 |
| Topological Polar Surface Area | 37.38 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 275.07132 |
| Heavy Atoms | 19 |
| Complexity | 552.5238 |
Chemical Identifiers
| CAS Number | 22942-88-7 |
|---|---|
| SMILES | C1C=C(CC2C1C(=O)N(C2=O)CC3=CC=CC=C3)Cl |
Product Overview
2-Benzyl-5-chloro-3a,4,7,7a-tetrahydroisoindole-1,3-dione (CAS 22942-88-7), with molecular formula C15H14ClNO2 and molecular weight 275.07 g/mol. IUPAC: 2-benzyl-5-chloro-3a,4,7,7a-tetrahydroisoindole-1,3-dione.
Chemical Property Profile of 2-Benzyl-5-chloro-3a,4,7,7a-tetrahydroisoindole-1,3-dione
Property Insights of 2-Benzyl-5-chloro-3a,4,7,7a-tetrahydroisoindole-1,3-dione
The XLogP value of 2.7043 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Benzyl-5-chloro-3a,4,7,7a-tetrahydroisoindole-1,3-dione. With a topological polar surface area (TPSA) of 37.38 Ų, 2-Benzyl-5-chloro-3a,4,7,7a-tetrahydroisoindole-1,3-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Benzyl-5-chloro-3a,4,7,7a-tetrahydroisoindole-1,3-dione has 0 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 2-Benzyl-5-chloro-3a,4,7,7a-tetrahydroisoindole-1,3-dione?
The CAS number of 2-Benzyl-5-chloro-3a,4,7,7a-tetrahydroisoindole-1,3-dione is 22942-88-7.
What is the molecular formula of 2-Benzyl-5-chloro-3a,4,7,7a-tetrahydroisoindole-1,3-dione?
The molecular formula of 2-Benzyl-5-chloro-3a,4,7,7a-tetrahydroisoindole-1,3-dione is C15H14ClNO2.
What is the molecular weight of 2-Benzyl-5-chloro-3a,4,7,7a-tetrahydroisoindole-1,3-dione?
The molecular weight of 2-Benzyl-5-chloro-3a,4,7,7a-tetrahydroisoindole-1,3-dione is 275.07 g/mol.
Where can I buy 2-Benzyl-5-chloro-3a,4,7,7a-tetrahydroisoindole-1,3-dione?
You can request a quote for 2-Benzyl-5-chloro-3a,4,7,7a-tetrahydroisoindole-1,3-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Benzyl-5-chloro-3a,4,7,7a-tetrahydroisoindole-1,3-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-Benzyl-5-chloro-3a,4,7,7a-tetrahydroisoindole-1,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.