(3aR,7aR)-2-(4-chlorophenyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione
TL;DR: (3aR,7aR)-2-(4-chlorophenyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione (CAS 4381-14-0) is a chemical compound with molecular formula C14H12ClNO2 and molecular weight 261.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3aR,7aR)-2-(4-chlorophenyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione
Also Known As: KST-1A4845, (3ar,7ar)-2-(4-chlorophenyl)-3a,4,7,7a-tetrahydro-1h-isoindole-1,3(2h)-dione, (3aR,7aR)-2-(4-chlorophenyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione
| Molecular Formula | C14H12ClNO2 |
|---|---|
| Molecular Weight | 261.06 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 37.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 261.05566 |
| Heavy Atoms | 18 |
| Complexity | 373.0 |
Chemical Identifiers
| CAS Number | 4381-14-0 |
|---|---|
| SMILES | C1C=CC[C@@H]2[C@@H]1C(=O)N(C2=O)C3=CC=C(C=C3)Cl |
| InChIKey | LVBNTQRVWHUJOP-VXGBXAGGSA-N |
Product Overview
(3aR,7aR)-2-(4-chlorophenyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione (CAS 4381-14-0), with molecular formula C14H12ClNO2 and molecular weight 261.06 g/mol. IUPAC: (3aR,7aR)-2-(4-chlorophenyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione.
Chemical Property Profile of (3aR,7aR)-2-(4-chlorophenyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione
Property Insights of (3aR,7aR)-2-(4-chlorophenyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3aR,7aR)-2-(4-chlorophenyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione. With a topological polar surface area (TPSA) of 37.4 Ų, (3aR,7aR)-2-(4-chlorophenyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3aR,7aR)-2-(4-chlorophenyl)-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 (3aR,7aR)-2-(4-chlorophenyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione?
The CAS number of (3aR,7aR)-2-(4-chlorophenyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione is 4381-14-0.
What is the molecular formula of (3aR,7aR)-2-(4-chlorophenyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione?
The molecular formula of (3aR,7aR)-2-(4-chlorophenyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione is C14H12ClNO2.
What is the molecular weight of (3aR,7aR)-2-(4-chlorophenyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione?
The molecular weight of (3aR,7aR)-2-(4-chlorophenyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione is 261.06 g/mol.
Where can I buy (3aR,7aR)-2-(4-chlorophenyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione?
You can request a quote for (3aR,7aR)-2-(4-chlorophenyl)-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 (3aR,7aR)-2-(4-chlorophenyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione?
Yes, KEHONG BIO provides custom synthesis services for (3aR,7aR)-2-(4-chlorophenyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.