3-(4-aminobutyl)-2-(1,3-thiazol-2-yl)-1H-indole-5-carbonitrile
TL;DR: 3-(4-aminobutyl)-2-(1,3-thiazol-2-yl)-1H-indole-5-carbonitrile (CAS 550298-82-3) is a chemical compound with molecular formula C16H16N4S and molecular weight 296.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-aminobutyl)-2-(1,3-thiazol-2-yl)-1H-indole-5-carbonitrile
Also Known As: 3-(4-aminobutyl)-2-(1,3-thiazol-2-yl)-1H-indole-5-carbonitrile, 3-(4-aminobutyl)-2-(thiazol-2-yl)-1h-indole-5-carbonitrile
| Molecular Formula | C16H16N4S |
|---|---|
| Molecular Weight | 296.11 g/mol |
| LogP | 3.44448 |
| Topological Polar Surface Area | 78.49 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 296.10956 |
| Heavy Atoms | 21 |
| Complexity | 780.56476 |
Chemical Identifiers
| CAS Number | 550298-82-3 |
|---|---|
| SMILES | C1=CC2=C(C=C1C#N)C(=C(N2)C3=NC=CS3)CCCCN |
Product Overview
3-(4-aminobutyl)-2-(1,3-thiazol-2-yl)-1H-indole-5-carbonitrile (CAS 550298-82-3), with molecular formula C16H16N4S and molecular weight 296.11 g/mol. IUPAC: 3-(4-aminobutyl)-2-(1,3-thiazol-2-yl)-1H-indole-5-carbonitrile.
Chemical Property Profile of 3-(4-aminobutyl)-2-(1,3-thiazol-2-yl)-1H-indole-5-carbonitrile
Property Insights of 3-(4-aminobutyl)-2-(1,3-thiazol-2-yl)-1H-indole-5-carbonitrile
The XLogP value of 3.44448 indicates that 3-(4-aminobutyl)-2-(1,3-thiazol-2-yl)-1H-indole-5-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.49 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-aminobutyl)-2-(1,3-thiazol-2-yl)-1H-indole-5-carbonitrile. Following Lipinski's Rule of Five, 3-(4-aminobutyl)-2-(1,3-thiazol-2-yl)-1H-indole-5-carbonitrile has 2 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 3-(4-aminobutyl)-2-(1,3-thiazol-2-yl)-1H-indole-5-carbonitrile?
The CAS number of 3-(4-aminobutyl)-2-(1,3-thiazol-2-yl)-1H-indole-5-carbonitrile is 550298-82-3.
What is the molecular formula of 3-(4-aminobutyl)-2-(1,3-thiazol-2-yl)-1H-indole-5-carbonitrile?
The molecular formula of 3-(4-aminobutyl)-2-(1,3-thiazol-2-yl)-1H-indole-5-carbonitrile is C16H16N4S.
What is the molecular weight of 3-(4-aminobutyl)-2-(1,3-thiazol-2-yl)-1H-indole-5-carbonitrile?
The molecular weight of 3-(4-aminobutyl)-2-(1,3-thiazol-2-yl)-1H-indole-5-carbonitrile is 296.11 g/mol.
Where can I buy 3-(4-aminobutyl)-2-(1,3-thiazol-2-yl)-1H-indole-5-carbonitrile?
You can request a quote for 3-(4-aminobutyl)-2-(1,3-thiazol-2-yl)-1H-indole-5-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-aminobutyl)-2-(1,3-thiazol-2-yl)-1H-indole-5-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-aminobutyl)-2-(1,3-thiazol-2-yl)-1H-indole-5-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.