3a,4,7,7a-Tetrahydro-2-(phenylamino)-1H-isoindole-1,3(2H)-dione
TL;DR: 3a,4,7,7a-Tetrahydro-2-(phenylamino)-1H-isoindole-1,3(2H)-dione (CAS 61152-63-4) is a chemical compound with molecular formula C14H14N2O2 and molecular weight 242.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-anilino-3a,4,7,7a-tetrahydroisoindole-1,3-dione
Also Known As: 2-(phenylamino)-2,3,3a,4,7,7a-hexahydro-1H-isoindole-1,3-dione, 2-anilino-3a,4,7,7a-tetrahydroisoindole-1,3-dione, 1H-ISOINDOLE-1,3(2H)-DIONE, 3a,4,7,7a-TETRAHYDRO-2-(PHENYLAMINO)-, Phthalimide, 3a,4,7,7a-tetrahydro-N-anilino-, 2-anilino-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
| Molecular Formula | C14H14N2O2 |
|---|---|
| Molecular Weight | 242.11 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 49.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 242.10553 |
| Heavy Atoms | 18 |
| Complexity | 359.0 |
Chemical Identifiers
| CAS Number | 61152-63-4 |
|---|---|
| SMILES | C1C=CCC2C1C(=O)N(C2=O)NC3=CC=CC=C3 |
| InChIKey | IVHYKVOJOGRKBX-UHFFFAOYSA-N |
Product Overview
3a,4,7,7a-Tetrahydro-2-(phenylamino)-1H-isoindole-1,3(2H)-dione (CAS 61152-63-4), with molecular formula C14H14N2O2 and molecular weight 242.11 g/mol. IUPAC: 2-anilino-3a,4,7,7a-tetrahydroisoindole-1,3-dione.
Chemical Property Profile of 3a,4,7,7a-Tetrahydro-2-(phenylamino)-1H-isoindole-1,3(2H)-dione
Property Insights of 3a,4,7,7a-Tetrahydro-2-(phenylamino)-1H-isoindole-1,3(2H)-dione
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3a,4,7,7a-Tetrahydro-2-(phenylamino)-1H-isoindole-1,3(2H)-dione. With a topological polar surface area (TPSA) of 49.4 Ų, 3a,4,7,7a-Tetrahydro-2-(phenylamino)-1H-isoindole-1,3(2H)-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3a,4,7,7a-Tetrahydro-2-(phenylamino)-1H-isoindole-1,3(2H)-dione has 1 hydrogen bond donor(s) and 3 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 3a,4,7,7a-Tetrahydro-2-(phenylamino)-1H-isoindole-1,3(2H)-dione?
The CAS number of 3a,4,7,7a-Tetrahydro-2-(phenylamino)-1H-isoindole-1,3(2H)-dione is 61152-63-4.
What is the molecular formula of 3a,4,7,7a-Tetrahydro-2-(phenylamino)-1H-isoindole-1,3(2H)-dione?
The molecular formula of 3a,4,7,7a-Tetrahydro-2-(phenylamino)-1H-isoindole-1,3(2H)-dione is C14H14N2O2.
What is the molecular weight of 3a,4,7,7a-Tetrahydro-2-(phenylamino)-1H-isoindole-1,3(2H)-dione?
The molecular weight of 3a,4,7,7a-Tetrahydro-2-(phenylamino)-1H-isoindole-1,3(2H)-dione is 242.11 g/mol.
Where can I buy 3a,4,7,7a-Tetrahydro-2-(phenylamino)-1H-isoindole-1,3(2H)-dione?
You can request a quote for 3a,4,7,7a-Tetrahydro-2-(phenylamino)-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 3a,4,7,7a-Tetrahydro-2-(phenylamino)-1H-isoindole-1,3(2H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 3a,4,7,7a-Tetrahydro-2-(phenylamino)-1H-isoindole-1,3(2H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.