![3-{3-[2-(dimethylamino)-1,3-thiazol-4-yl]-1H-indol-1-yl}propanenitrile structure](/static/products/874/874952-62-2.png)
3-{3-[2-(dimethylamino)-1,3-thiazol-4-yl]-1H-indol-1-yl}propanenitrile
TL;DR: 3-{3-[2-(dimethylamino)-1,3-thiazol-4-yl]-1H-indol-1-yl}propanenitrile (CAS 874952-62-2) 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-[3-[2-(dimethylamino)-1,3-thiazol-4-yl]indol-1-yl]propanenitrile
Also Known As: 3-[3-[2-(dimethylamino)-1,3-thiazol-4-yl]indol-1-yl]propanenitrile, 3-{3-[2-(dimethylamino)-1,3-thiazol-4-yl]-1H-indol-1-yl}propanenitrile
| Molecular Formula | C16H16N4S |
|---|---|
| Molecular Weight | 296.11 g/mol |
| LogP | 3.74448 |
| Topological Polar Surface Area | 44.85 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 296.10956 |
| Heavy Atoms | 21 |
| Complexity | 807.1515 |
Chemical Identifiers
| CAS Number | 874952-62-2 |
|---|---|
| SMILES | CN(C)C1=NC(=CS1)C2=CN(C3=CC=CC=C32)CCC#N |
Product Overview
3-{3-[2-(dimethylamino)-1,3-thiazol-4-yl]-1H-indol-1-yl}propanenitrile (CAS 874952-62-2), with molecular formula C16H16N4S and molecular weight 296.11 g/mol. IUPAC: 3-[3-[2-(dimethylamino)-1,3-thiazol-4-yl]indol-1-yl]propanenitrile.
Chemical Property Profile of 3-{3-[2-(dimethylamino)-1,3-thiazol-4-yl]-1H-indol-1-yl}propanenitrile
Property Insights of 3-{3-[2-(dimethylamino)-1,3-thiazol-4-yl]-1H-indol-1-yl}propanenitrile
The XLogP value of 3.74448 indicates that 3-{3-[2-(dimethylamino)-1,3-thiazol-4-yl]-1H-indol-1-yl}propanenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.85 Ų, 3-{3-[2-(dimethylamino)-1,3-thiazol-4-yl]-1H-indol-1-yl}propanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-{3-[2-(dimethylamino)-1,3-thiazol-4-yl]-1H-indol-1-yl}propanenitrile has 0 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-{3-[2-(dimethylamino)-1,3-thiazol-4-yl]-1H-indol-1-yl}propanenitrile?
The CAS number of 3-{3-[2-(dimethylamino)-1,3-thiazol-4-yl]-1H-indol-1-yl}propanenitrile is 874952-62-2.
What is the molecular formula of 3-{3-[2-(dimethylamino)-1,3-thiazol-4-yl]-1H-indol-1-yl}propanenitrile?
The molecular formula of 3-{3-[2-(dimethylamino)-1,3-thiazol-4-yl]-1H-indol-1-yl}propanenitrile is C16H16N4S.
What is the molecular weight of 3-{3-[2-(dimethylamino)-1,3-thiazol-4-yl]-1H-indol-1-yl}propanenitrile?
The molecular weight of 3-{3-[2-(dimethylamino)-1,3-thiazol-4-yl]-1H-indol-1-yl}propanenitrile is 296.11 g/mol.
Where can I buy 3-{3-[2-(dimethylamino)-1,3-thiazol-4-yl]-1H-indol-1-yl}propanenitrile?
You can request a quote for 3-{3-[2-(dimethylamino)-1,3-thiazol-4-yl]-1H-indol-1-yl}propanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-{3-[2-(dimethylamino)-1,3-thiazol-4-yl]-1H-indol-1-yl}propanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-{3-[2-(dimethylamino)-1,3-thiazol-4-yl]-1H-indol-1-yl}propanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.