![1H-Indole-5-acetonitrile, 3-[2-(dimethylamino)ethyl]- structure](/static/products/1106/110626-61-4.webp)
1H-Indole-5-acetonitrile, 3-[2-(dimethylamino)ethyl]-
TL;DR: 1H-Indole-5-acetonitrile, 3-[2-(dimethylamino)ethyl]- (CAS 110626-61-4) is a chemical compound with molecular formula C14H17N3 and molecular weight 227.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]acetonitrile
Also Known As: 1H-Indole-5-acetonitrile, 3-[2-(dimethylamino)ethyl]-, 2-[3-(2-dimethylaminoethyl)-1H-indol-5-yl]acetonitrile, 2-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]acetonitrile, N,N-DIMETHYL-2-[5-(CYANOMETHYL)-1H-INDOL-3-YL]ETHYLAMINE, 3-[2-(Dimethylamino)ethyl]-1H-indole-5-acetonitrile
| Molecular Formula | C14H17N3 |
|---|---|
| Molecular Weight | 227.14 g/mol |
| LogP | 2.33808 |
| Topological Polar Surface Area | 42.82 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 227.14224 |
| Heavy Atoms | 17 |
| Complexity | 546.08295 |
Chemical Identifiers
| CAS Number | 110626-61-4 |
|---|---|
| SMILES | CN(C)CCC1=CNC2=C1C=C(C=C2)CC#N |
Product Overview
1H-Indole-5-acetonitrile, 3-[2-(dimethylamino)ethyl]- (CAS 110626-61-4), with molecular formula C14H17N3 and molecular weight 227.14 g/mol. IUPAC: 2-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]acetonitrile.
Chemical Property Profile of 1H-Indole-5-acetonitrile, 3-[2-(dimethylamino)ethyl]-
Property Insights of 1H-Indole-5-acetonitrile, 3-[2-(dimethylamino)ethyl]-
The XLogP value of 2.33808 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Indole-5-acetonitrile, 3-[2-(dimethylamino)ethyl]-. With a topological polar surface area (TPSA) of 42.82 Ų, 1H-Indole-5-acetonitrile, 3-[2-(dimethylamino)ethyl]- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-Indole-5-acetonitrile, 3-[2-(dimethylamino)ethyl]- has 1 hydrogen bond donor(s) and 2 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 1H-Indole-5-acetonitrile, 3-[2-(dimethylamino)ethyl]-?
The CAS number of 1H-Indole-5-acetonitrile, 3-[2-(dimethylamino)ethyl]- is 110626-61-4.
What is the molecular formula of 1H-Indole-5-acetonitrile, 3-[2-(dimethylamino)ethyl]-?
The molecular formula of 1H-Indole-5-acetonitrile, 3-[2-(dimethylamino)ethyl]- is C14H17N3.
What is the molecular weight of 1H-Indole-5-acetonitrile, 3-[2-(dimethylamino)ethyl]-?
The molecular weight of 1H-Indole-5-acetonitrile, 3-[2-(dimethylamino)ethyl]- is 227.14 g/mol.
Where can I buy 1H-Indole-5-acetonitrile, 3-[2-(dimethylamino)ethyl]-?
You can request a quote for 1H-Indole-5-acetonitrile, 3-[2-(dimethylamino)ethyl]- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Indole-5-acetonitrile, 3-[2-(dimethylamino)ethyl]-?
Yes, KEHONG BIO provides custom synthesis services for 1H-Indole-5-acetonitrile, 3-[2-(dimethylamino)ethyl]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.