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3-(2-Aminoethyl)-1H-indole-4,5,7-triol structure
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3-(2-Aminoethyl)-1H-indole-4,5,7-triol

TL;DR: 3-(2-Aminoethyl)-1H-indole-4,5,7-triol (CAS 100513-77-7) is a chemical compound with molecular formula C10H12N2O3 and molecular weight 208.0848 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

3-(2-aminoethyl)-1H-indole-4,5,7-triol

Also Known As: 3-(2-aminoethyl)-1H-indole-4,5,7-triol, 4,5,7-trihydroxytryptamine, 1H-INDOLE-4,5,7-TRIOL,3-(2-AMINOETHYL)-, 1H-Indole-1-carboxamide, N-(2,2-dimethyl-1-oxopropyl)-2,3-dihydro-2-oxo-3-(2-thienylcarbonyl)-

CAS Number
100513-77-7
Molecular Formula
C10H12N2O3
Molecular Weight
208.0848 g/mol
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Technical Specifications

Molecular FormulaC10H12N2O3
Molecular Weight208.0848 g/mol
XLogP0.3
Topological Polar Surface Area (TPSA)103.0 Ų
Hydrogen Bond Donors5
Hydrogen Bond Acceptors4
Rotatable Bonds2
Exact Mass208.0848 Da
Heavy Atoms15
Complexity227.0
SMILESC1=C(C2=C(C(=CN2)CCN)C(=C1O)O)O
InChIKeyAKHSJVWULQDHPQ-UHFFFAOYSA-N

Chemical Property Profile of 3-(2-Aminoethyl)-1H-indole-4,5,7-triol

XLogP
0.3
TPSA (Topological Polar Surface Area)
103.0
Hydrogen Bond Donors
5
Hydrogen Bond Acceptors
4
Rotatable Bonds
2
Heavy Atoms
15
Complexity
227.0
Exact Mass
208.0848
Monoisotopic Mass
208.0848
Data Source: Chemical property values are referenced from PubChem, the world's largest open chemistry database maintained by the National Center for Biotechnology Information (NCBI), U.S. National Library of Medicine.

Property Insights of 3-(2-Aminoethyl)-1H-indole-4,5,7-triol

The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2-Aminoethyl)-1H-indole-4,5,7-triol. The TPSA of 103.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(2-Aminoethyl)-1H-indole-4,5,7-triol. Following Lipinski's Rule of Five, 3-(2-Aminoethyl)-1H-indole-4,5,7-triol has 5 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.

Frequently Asked Questions

What is the CAS number of 3-(2-Aminoethyl)-1H-indole-4,5,7-triol?

The CAS number of 3-(2-Aminoethyl)-1H-indole-4,5,7-triol is 100513-77-7.

What is the molecular formula of 3-(2-Aminoethyl)-1H-indole-4,5,7-triol?

The molecular formula of 3-(2-Aminoethyl)-1H-indole-4,5,7-triol is C10H12N2O3.

What is the molecular weight of 3-(2-Aminoethyl)-1H-indole-4,5,7-triol?

The molecular weight of 3-(2-Aminoethyl)-1H-indole-4,5,7-triol is 208.0848 g/mol.

Where can I buy 3-(2-Aminoethyl)-1H-indole-4,5,7-triol?

You can request a quote for 3-(2-Aminoethyl)-1H-indole-4,5,7-triol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.

Does CoreyChem offer custom synthesis for 3-(2-Aminoethyl)-1H-indole-4,5,7-triol?

Yes, CoreyChem provides custom synthesis services for 3-(2-Aminoethyl)-1H-indole-4,5,7-triol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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