2-(4-Ethoxyphenyl)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
TL;DR: 2-(4-Ethoxyphenyl)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione (CAS 55680-87-0) is a chemical compound with molecular formula C16H17NO3 and molecular weight 271.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-ethoxyphenyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione
Also Known As: BIM-0025255.P001, 2-(4-ethoxyphenyl)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione, 3a,4,7,7a-Tetrahydro-2-(4-ethoxyphenyl)-1H-isoindole-1,3(2H)-dione, N-(4-Etoksyfenylo)imid kwasu 1,2,3,6-tetrahydroftalowego, N-(4-Etoksyfenylo)imid kwasu 1,2,3,6-tetrahydroftalowego [Polish]
| Molecular Formula | C16H17NO3 |
|---|---|
| Molecular Weight | 271.12 g/mol |
| LogP | 2.5409 |
| Topological Polar Surface Area | 46.61 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 271.12085 |
| Heavy Atoms | 20 |
| Complexity | 535.58966 |
Chemical Identifiers
| CAS Number | 55680-87-0 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)N2C(=O)C3CC=CCC3C2=O |
Product Overview
2-(4-Ethoxyphenyl)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione (CAS 55680-87-0), with molecular formula C16H17NO3 and molecular weight 271.12 g/mol. IUPAC: 2-(4-ethoxyphenyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione.
Chemical Property Profile of 2-(4-Ethoxyphenyl)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
Property Insights of 2-(4-Ethoxyphenyl)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
The XLogP value of 2.5409 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-Ethoxyphenyl)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione. With a topological polar surface area (TPSA) of 46.61 Ų, 2-(4-Ethoxyphenyl)-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, 2-(4-Ethoxyphenyl)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione has 0 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 2-(4-Ethoxyphenyl)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione?
The CAS number of 2-(4-Ethoxyphenyl)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione is 55680-87-0.
What is the molecular formula of 2-(4-Ethoxyphenyl)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione?
The molecular formula of 2-(4-Ethoxyphenyl)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione is C16H17NO3.
What is the molecular weight of 2-(4-Ethoxyphenyl)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione?
The molecular weight of 2-(4-Ethoxyphenyl)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione is 271.12 g/mol.
Where can I buy 2-(4-Ethoxyphenyl)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione?
You can request a quote for 2-(4-Ethoxyphenyl)-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 2-(4-Ethoxyphenyl)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Ethoxyphenyl)-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.