![2-({1-[(2-chloro-1,3-thiazol-5-yl)methyl]-1H-indol-3-yl}methylene)malononitrile structure](/static/products/866/866049-74-3.png)
2-({1-[(2-chloro-1,3-thiazol-5-yl)methyl]-1H-indol-3-yl}methylene)malononitrile
TL;DR: 2-({1-[(2-chloro-1,3-thiazol-5-yl)methyl]-1H-indol-3-yl}methylene)malononitrile (CAS 866049-74-3) is a chemical compound with molecular formula C16H9ClN4S and molecular weight 324.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[1-[(2-chloro-1,3-thiazol-5-yl)methyl]indol-3-yl]methylidene]propanedinitrile
Also Known As: 2-({1-[(2-chloro-1,3-thiazol-5-yl)methyl]-1H-indol-3-yl}methylene)malononitrile, 2-({1-[(2-chloro-1,3-thiazol-5-yl)methyl]-1H-indol-3-yl}methylidene)propanedinitrile, 2-[[1-[(2-chloro-1,3-thiazol-5-yl)methyl]indol-3-yl]methylidene]propanedinitrile, 2-[[1-[(2-chlorothiazol-5-yl)methyl]indol-3-yl]methylene]propanedinitrile, ({1-[(2-Chloro-1,3-thiazol-5-yl)methyl]-1H-indol-3-yl}methylidene)propanedinitrile
| Molecular Formula | C16H9ClN4S |
|---|---|
| Molecular Weight | 324.02 g/mol |
| LogP | 4.23006 |
| Topological Polar Surface Area | 65.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 324.02365 |
| Heavy Atoms | 22 |
| Complexity | 936.58026 |
Chemical Identifiers
| CAS Number | 866049-74-3 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=CN2CC3=CN=C(S3)Cl)C=C(C#N)C#N |
Product Overview
2-({1-[(2-chloro-1,3-thiazol-5-yl)methyl]-1H-indol-3-yl}methylene)malononitrile (CAS 866049-74-3), with molecular formula C16H9ClN4S and molecular weight 324.02 g/mol. IUPAC: 2-[[1-[(2-chloro-1,3-thiazol-5-yl)methyl]indol-3-yl]methylidene]propanedinitrile.
Chemical Property Profile of 2-({1-[(2-chloro-1,3-thiazol-5-yl)methyl]-1H-indol-3-yl}methylene)malononitrile
Property Insights of 2-({1-[(2-chloro-1,3-thiazol-5-yl)methyl]-1H-indol-3-yl}methylene)malononitrile
The XLogP value of 4.23006 indicates that 2-({1-[(2-chloro-1,3-thiazol-5-yl)methyl]-1H-indol-3-yl}methylene)malononitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-({1-[(2-chloro-1,3-thiazol-5-yl)methyl]-1H-indol-3-yl}methylene)malononitrile. Following Lipinski's Rule of Five, 2-({1-[(2-chloro-1,3-thiazol-5-yl)methyl]-1H-indol-3-yl}methylene)malononitrile 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 2-({1-[(2-chloro-1,3-thiazol-5-yl)methyl]-1H-indol-3-yl}methylene)malononitrile?
The CAS number of 2-({1-[(2-chloro-1,3-thiazol-5-yl)methyl]-1H-indol-3-yl}methylene)malononitrile is 866049-74-3.
What is the molecular formula of 2-({1-[(2-chloro-1,3-thiazol-5-yl)methyl]-1H-indol-3-yl}methylene)malononitrile?
The molecular formula of 2-({1-[(2-chloro-1,3-thiazol-5-yl)methyl]-1H-indol-3-yl}methylene)malononitrile is C16H9ClN4S.
What is the molecular weight of 2-({1-[(2-chloro-1,3-thiazol-5-yl)methyl]-1H-indol-3-yl}methylene)malononitrile?
The molecular weight of 2-({1-[(2-chloro-1,3-thiazol-5-yl)methyl]-1H-indol-3-yl}methylene)malononitrile is 324.02 g/mol.
Where can I buy 2-({1-[(2-chloro-1,3-thiazol-5-yl)methyl]-1H-indol-3-yl}methylene)malononitrile?
You can request a quote for 2-({1-[(2-chloro-1,3-thiazol-5-yl)methyl]-1H-indol-3-yl}methylene)malononitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-({1-[(2-chloro-1,3-thiazol-5-yl)methyl]-1H-indol-3-yl}methylene)malononitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-({1-[(2-chloro-1,3-thiazol-5-yl)methyl]-1H-indol-3-yl}methylene)malononitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.