1,3,3a,4,7,7a-Hexahydro-1,3-dioxo-2H-isoindole-2-hexanoic acid
TL;DR: 1,3,3a,4,7,7a-Hexahydro-1,3-dioxo-2H-isoindole-2-hexanoic acid (CAS 4887-51-8) is a chemical compound with molecular formula C14H19NO4 and molecular weight 265.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)hexanoic acid
Also Known As: 1,3,3a,4,7,7a-Hexahydro-1,3-dioxo-2H-isoindole-2-hexanoic acid, BAS 00649052, 6-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)hexanoic acid, 6-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)hexanoic acid, 2h-isoindole-2-hexanoic acid,1,3,3a,4,7,7a-hexahydro-1,3-dioxo-
| Molecular Formula | C14H19NO4 |
|---|---|
| Molecular Weight | 265.13 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 74.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 265.1314 |
| Heavy Atoms | 19 |
| Complexity | 390.0 |
Chemical Identifiers
| CAS Number | 4887-51-8 |
|---|---|
| SMILES | C1C=CCC2C1C(=O)N(C2=O)CCCCCC(=O)O |
| InChIKey | IACNEMHLZLHRPW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3,3a,4,7,7a-Hexahydro-1,3-dioxo-2H-isoindole-2-hexanoic acid (CAS 4887-51-8), with molecular formula C14H19NO4 and molecular weight 265.13 g/mol. IUPAC: 6-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)hexanoic acid.
Chemical Property Profile of 1,3,3a,4,7,7a-Hexahydro-1,3-dioxo-2H-isoindole-2-hexanoic acid
Property Insights of 1,3,3a,4,7,7a-Hexahydro-1,3-dioxo-2H-isoindole-2-hexanoic acid
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3,3a,4,7,7a-Hexahydro-1,3-dioxo-2H-isoindole-2-hexanoic acid. The TPSA of 74.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3,3a,4,7,7a-Hexahydro-1,3-dioxo-2H-isoindole-2-hexanoic acid. Following Lipinski's Rule of Five, 1,3,3a,4,7,7a-Hexahydro-1,3-dioxo-2H-isoindole-2-hexanoic acid has 1 hydrogen bond donor(s) and 4 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 1,3,3a,4,7,7a-Hexahydro-1,3-dioxo-2H-isoindole-2-hexanoic acid?
The CAS number of 1,3,3a,4,7,7a-Hexahydro-1,3-dioxo-2H-isoindole-2-hexanoic acid is 4887-51-8.
What is the molecular formula of 1,3,3a,4,7,7a-Hexahydro-1,3-dioxo-2H-isoindole-2-hexanoic acid?
The molecular formula of 1,3,3a,4,7,7a-Hexahydro-1,3-dioxo-2H-isoindole-2-hexanoic acid is C14H19NO4.
What is the molecular weight of 1,3,3a,4,7,7a-Hexahydro-1,3-dioxo-2H-isoindole-2-hexanoic acid?
The molecular weight of 1,3,3a,4,7,7a-Hexahydro-1,3-dioxo-2H-isoindole-2-hexanoic acid is 265.13 g/mol.
Where can I buy 1,3,3a,4,7,7a-Hexahydro-1,3-dioxo-2H-isoindole-2-hexanoic acid?
You can request a quote for 1,3,3a,4,7,7a-Hexahydro-1,3-dioxo-2H-isoindole-2-hexanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3,3a,4,7,7a-Hexahydro-1,3-dioxo-2H-isoindole-2-hexanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 1,3,3a,4,7,7a-Hexahydro-1,3-dioxo-2H-isoindole-2-hexanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.