6-(1,3-dioxooctahydro-2H-isoindol-2-yl)hexanoic acid
TL;DR: 6-(1,3-dioxooctahydro-2H-isoindol-2-yl)hexanoic acid (CAS 4887-53-0) is a chemical compound with molecular formula C14H21NO4 and molecular weight 267.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)hexanoic acid
Also Known As: 6-(1,3-dioxooctahydro-2H-isoindol-2-yl)hexanoic acid, BAS 00511990, Octahydro-1,3-dioxo-2H-isoindole-2-hexanoic acid, 6-(1,3-Dioxo-octahydro-isoindol-2-yl)-hexanoic acid, 6-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)hexanoic acid
| Molecular Formula | C14H21NO4 |
|---|---|
| Molecular Weight | 267.15 g/mol |
| LogP | 1.8066 |
| Topological Polar Surface Area | 74.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 267.14706 |
| Heavy Atoms | 19 |
| Complexity | 355.64224 |
Chemical Identifiers
| CAS Number | 4887-53-0 |
|---|---|
| SMILES | C1CCC2C(C1)C(=O)N(C2=O)CCCCCC(=O)O |
Product Overview
6-(1,3-dioxooctahydro-2H-isoindol-2-yl)hexanoic acid (CAS 4887-53-0), with molecular formula C14H21NO4 and molecular weight 267.15 g/mol. IUPAC: 6-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)hexanoic acid.
Chemical Property Profile of 6-(1,3-dioxooctahydro-2H-isoindol-2-yl)hexanoic acid
Property Insights of 6-(1,3-dioxooctahydro-2H-isoindol-2-yl)hexanoic acid
The XLogP value of 1.8066 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-(1,3-dioxooctahydro-2H-isoindol-2-yl)hexanoic acid. The TPSA of 74.68 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-(1,3-dioxooctahydro-2H-isoindol-2-yl)hexanoic acid. Following Lipinski's Rule of Five, 6-(1,3-dioxooctahydro-2H-isoindol-2-yl)hexanoic acid 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 6-(1,3-dioxooctahydro-2H-isoindol-2-yl)hexanoic acid?
The CAS number of 6-(1,3-dioxooctahydro-2H-isoindol-2-yl)hexanoic acid is 4887-53-0.
What is the molecular formula of 6-(1,3-dioxooctahydro-2H-isoindol-2-yl)hexanoic acid?
The molecular formula of 6-(1,3-dioxooctahydro-2H-isoindol-2-yl)hexanoic acid is C14H21NO4.
What is the molecular weight of 6-(1,3-dioxooctahydro-2H-isoindol-2-yl)hexanoic acid?
The molecular weight of 6-(1,3-dioxooctahydro-2H-isoindol-2-yl)hexanoic acid is 267.15 g/mol.
Where can I buy 6-(1,3-dioxooctahydro-2H-isoindol-2-yl)hexanoic acid?
You can request a quote for 6-(1,3-dioxooctahydro-2H-isoindol-2-yl)hexanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-(1,3-dioxooctahydro-2H-isoindol-2-yl)hexanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 6-(1,3-dioxooctahydro-2H-isoindol-2-yl)hexanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.