2-(3-hydroxyphenyl)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
TL;DR: 2-(3-hydroxyphenyl)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione (CAS 54398-99-1) is a chemical compound with molecular formula C14H13NO3 and molecular weight 243.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-hydroxyphenyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione
Also Known As: IFLab1_005170, SDCCGMLS-0065624.P001, 2-(3-hydroxyphenyl)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione, 2-(3-hydroxyphenyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione, F1208-0019
| Molecular Formula | C14H13NO3 |
|---|---|
| Molecular Weight | 243.09 g/mol |
| LogP | 1.8478 |
| Topological Polar Surface Area | 57.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 243.08954 |
| Heavy Atoms | 18 |
| Complexity | 523.72504 |
Chemical Identifiers
| CAS Number | 54398-99-1 |
|---|---|
| SMILES | C1C=CCC2C1C(=O)N(C2=O)C3=CC(=CC=C3)O |
Product Overview
2-(3-hydroxyphenyl)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione (CAS 54398-99-1), with molecular formula C14H13NO3 and molecular weight 243.09 g/mol. IUPAC: 2-(3-hydroxyphenyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione.
Chemical Property Profile of 2-(3-hydroxyphenyl)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
Property Insights of 2-(3-hydroxyphenyl)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
The XLogP value of 1.8478 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(3-hydroxyphenyl)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione. With a topological polar surface area (TPSA) of 57.61 Ų, 2-(3-hydroxyphenyl)-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-(3-hydroxyphenyl)-3a,4,7,7a-tetrahydro-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 2-(3-hydroxyphenyl)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione?
The CAS number of 2-(3-hydroxyphenyl)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione is 54398-99-1.
What is the molecular formula of 2-(3-hydroxyphenyl)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione?
The molecular formula of 2-(3-hydroxyphenyl)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione is C14H13NO3.
What is the molecular weight of 2-(3-hydroxyphenyl)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione?
The molecular weight of 2-(3-hydroxyphenyl)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione is 243.09 g/mol.
Where can I buy 2-(3-hydroxyphenyl)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione?
You can request a quote for 2-(3-hydroxyphenyl)-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-(3-hydroxyphenyl)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-hydroxyphenyl)-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.