Indole, 3-(7-aminoheptyl)-, adipate (1:1)
TL;DR: Indole, 3-(7-aminoheptyl)-, adipate (1:1) (CAS 31699-74-8) is a chemical compound with molecular formula C21H32N2O4 and molecular weight 376.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-hydroxy-6-oxohexanoate;7-(1H-indol-3-yl)heptylazanium
Also Known As: 3-(7-Aminoheptyl)indole adipate, INDOLE, 3-(7-AMINOHEPTYL)-, ADIPATE (1:1), 7-(1H-indol-3-yl)heptan-1-aminium 5-carboxypentanoate, 6-hydroxy-6-oxohexanoate; 7-(1H-indol-3-yl)heptylazanium, RefChem:349250
| Molecular Formula | C21H32N2O4 |
|---|---|
| Molecular Weight | 376.24 g/mol |
| LogP | 2.28 |
| Topological Polar Surface Area | 121.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 11 |
| Exact Mass | 376.2362 |
| Heavy Atoms | 27 |
| Complexity | 329.0 |
Chemical Identifiers
| CAS Number | 31699-74-8 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=CN2)CCCCCCC[NH3+].C(CCC(=O)[O-])CC(=O)O |
| InChIKey | BUCCWJVHRMOFRV-UHFFFAOYSA-N |
Product Overview
Indole, 3-(7-aminoheptyl)-, adipate (1:1) (CAS 31699-74-8), with molecular formula C21H32N2O4 and molecular weight 376.24 g/mol. IUPAC: 6-hydroxy-6-oxohexanoate;7-(1H-indol-3-yl)heptylazanium.
Chemical Property Profile of Indole, 3-(7-aminoheptyl)-, adipate (1:1)
Property Insights of Indole, 3-(7-aminoheptyl)-, adipate (1:1)
The XLogP value of 2.28 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Indole, 3-(7-aminoheptyl)-, adipate (1:1). The TPSA of 121.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Indole, 3-(7-aminoheptyl)-, adipate (1:1). Following Lipinski's Rule of Five, Indole, 3-(7-aminoheptyl)-, adipate (1:1) has 3 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 Indole, 3-(7-aminoheptyl)-, adipate (1:1)?
The CAS number of Indole, 3-(7-aminoheptyl)-, adipate (1:1) is 31699-74-8.
What is the molecular formula of Indole, 3-(7-aminoheptyl)-, adipate (1:1)?
The molecular formula of Indole, 3-(7-aminoheptyl)-, adipate (1:1) is C21H32N2O4.
What is the molecular weight of Indole, 3-(7-aminoheptyl)-, adipate (1:1)?
The molecular weight of Indole, 3-(7-aminoheptyl)-, adipate (1:1) is 376.24 g/mol.
Where can I buy Indole, 3-(7-aminoheptyl)-, adipate (1:1)?
You can request a quote for Indole, 3-(7-aminoheptyl)-, adipate (1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Indole, 3-(7-aminoheptyl)-, adipate (1:1)?
Yes, KEHONG BIO provides custom synthesis services for Indole, 3-(7-aminoheptyl)-, adipate (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.