1H-Isoindole-1,3(2H)-dione, 3a,4,7,7a-tetrahydro-2-(4-(2-propynyloxy)phenyl)-
TL;DR: 1H-Isoindole-1,3(2H)-dione, 3a,4,7,7a-tetrahydro-2-(4-(2-propynyloxy)phenyl)- (CAS 55680-89-2) is a chemical compound with molecular formula C17H15NO3 and molecular weight 281.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-prop-2-ynoxyphenyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione
Also Known As: N-(4-Propargiloksy)-fenylo imid kwasu 1,2,3,6-tetrahydroftalowego [Polish], 3a,4,7,7a-Tetrahydro-2-(4-(2-propynyloxy)phenyl)-1H-isoindole-1,3(2H)-dione, N-(4-Propargiloksy)-fenylo imid kwasu 1,2,3,6-tetrahydroftalowego, 1H-ISOINDOLE-1,3(2H)-DIONE, 3a,4,7,7a-TETRAHYDRO-2-(4-(2-PROPYNYLOXY)PHENYL)-, 2-(4-prop-2-ynoxyphenyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione
| Molecular Formula | C17H15NO3 |
|---|---|
| Molecular Weight | 281.11 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 46.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 281.1052 |
| Heavy Atoms | 21 |
| Complexity | 481.0 |
Chemical Identifiers
| CAS Number | 55680-89-2 |
|---|---|
| SMILES | C#CCOC1=CC=C(C=C1)N2C(=O)C3CC=CCC3C2=O |
| InChIKey | TZONHHXEGSUDFB-UHFFFAOYSA-N |
Product Overview
1H-Isoindole-1,3(2H)-dione, 3a,4,7,7a-tetrahydro-2-(4-(2-propynyloxy)phenyl)- (CAS 55680-89-2), with molecular formula C17H15NO3 and molecular weight 281.11 g/mol. IUPAC: 2-(4-prop-2-ynoxyphenyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione.
Chemical Property Profile of 1H-Isoindole-1,3(2H)-dione, 3a,4,7,7a-tetrahydro-2-(4-(2-propynyloxy)phenyl)-
Property Insights of 1H-Isoindole-1,3(2H)-dione, 3a,4,7,7a-tetrahydro-2-(4-(2-propynyloxy)phenyl)-
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Isoindole-1,3(2H)-dione, 3a,4,7,7a-tetrahydro-2-(4-(2-propynyloxy)phenyl)-. With a topological polar surface area (TPSA) of 46.6 Ų, 1H-Isoindole-1,3(2H)-dione, 3a,4,7,7a-tetrahydro-2-(4-(2-propynyloxy)phenyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-Isoindole-1,3(2H)-dione, 3a,4,7,7a-tetrahydro-2-(4-(2-propynyloxy)phenyl)- 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 1H-Isoindole-1,3(2H)-dione, 3a,4,7,7a-tetrahydro-2-(4-(2-propynyloxy)phenyl)-?
The CAS number of 1H-Isoindole-1,3(2H)-dione, 3a,4,7,7a-tetrahydro-2-(4-(2-propynyloxy)phenyl)- is 55680-89-2.
What is the molecular formula of 1H-Isoindole-1,3(2H)-dione, 3a,4,7,7a-tetrahydro-2-(4-(2-propynyloxy)phenyl)-?
The molecular formula of 1H-Isoindole-1,3(2H)-dione, 3a,4,7,7a-tetrahydro-2-(4-(2-propynyloxy)phenyl)- is C17H15NO3.
What is the molecular weight of 1H-Isoindole-1,3(2H)-dione, 3a,4,7,7a-tetrahydro-2-(4-(2-propynyloxy)phenyl)-?
The molecular weight of 1H-Isoindole-1,3(2H)-dione, 3a,4,7,7a-tetrahydro-2-(4-(2-propynyloxy)phenyl)- is 281.11 g/mol.
Where can I buy 1H-Isoindole-1,3(2H)-dione, 3a,4,7,7a-tetrahydro-2-(4-(2-propynyloxy)phenyl)-?
You can request a quote for 1H-Isoindole-1,3(2H)-dione, 3a,4,7,7a-tetrahydro-2-(4-(2-propynyloxy)phenyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Isoindole-1,3(2H)-dione, 3a,4,7,7a-tetrahydro-2-(4-(2-propynyloxy)phenyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1H-Isoindole-1,3(2H)-dione, 3a,4,7,7a-tetrahydro-2-(4-(2-propynyloxy)phenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.