![(E)-3-{1-[(2-chloro-1,3-thiazol-5-yl)methyl]-1H-indol-3-yl}-2-(methylsulfonyl)-2-propenenitrile structure](/static/products/860/860787-40-2.png)
(E)-3-{1-[(2-chloro-1,3-thiazol-5-yl)methyl]-1H-indol-3-yl}-2-(methylsulfonyl)-2-propenenitrile
TL;DR: (E)-3-{1-[(2-chloro-1,3-thiazol-5-yl)methyl]-1H-indol-3-yl}-2-(methylsulfonyl)-2-propenenitrile (CAS 860787-40-2) is a chemical compound with molecular formula C16H12ClN3O2S2 and molecular weight 377.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[1-[(2-chloro-1,3-thiazol-5-yl)methyl]indol-3-yl]-2-methylsulfonylprop-2-enenitrile
Also Known As: (E)-3-{1-[(2-chloro-1,3-thiazol-5-yl)methyl]-1H-indol-3-yl}-2-(methylsulfonyl)-2-propenenitrile, 3-[1-[(2-chloro-1,3-thiazol-5-yl)methyl]indol-3-yl]-2-methylsulfonylprop-2-enenitrile, 3-[1-[(2-chloro-1,3-thiazol-5-yl)methyl]indol-3-yl]-2-methylsulfonyl-prop-2-enenitrile, 3-[1-[(2-Chloro-5-thiazolyl)methyl]-1H-indol-3-yl]-2-(methylsulfonyl)-2-propenenitrile, 3-{1-[(2-Chloro-1,3-thiazol-5-yl)methyl]-1H-indol-3-yl}-2-(methanesulfonyl)prop-2-enenitrile
| Molecular Formula | C16H12ClN3O2S2 |
|---|---|
| Molecular Weight | 377.01 g/mol |
| LogP | 3.70858 |
| Topological Polar Surface Area | 75.75 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 377.00595 |
| Heavy Atoms | 24 |
| Complexity | 1088.1682 |
Chemical Identifiers
| CAS Number | 860787-40-2 |
|---|---|
| SMILES | CS(=O)(=O)C(=CC1=CN(C2=CC=CC=C21)CC3=CN=C(S3)Cl)C#N |
Product Overview
(E)-3-{1-[(2-chloro-1,3-thiazol-5-yl)methyl]-1H-indol-3-yl}-2-(methylsulfonyl)-2-propenenitrile (CAS 860787-40-2), with molecular formula C16H12ClN3O2S2 and molecular weight 377.01 g/mol. IUPAC: 3-[1-[(2-chloro-1,3-thiazol-5-yl)methyl]indol-3-yl]-2-methylsulfonylprop-2-enenitrile.
Chemical Property Profile of (E)-3-{1-[(2-chloro-1,3-thiazol-5-yl)methyl]-1H-indol-3-yl}-2-(methylsulfonyl)-2-propenenitrile
Property Insights of (E)-3-{1-[(2-chloro-1,3-thiazol-5-yl)methyl]-1H-indol-3-yl}-2-(methylsulfonyl)-2-propenenitrile
The XLogP value of 3.70858 indicates that (E)-3-{1-[(2-chloro-1,3-thiazol-5-yl)methyl]-1H-indol-3-yl}-2-(methylsulfonyl)-2-propenenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.75 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-3-{1-[(2-chloro-1,3-thiazol-5-yl)methyl]-1H-indol-3-yl}-2-(methylsulfonyl)-2-propenenitrile. Following Lipinski's Rule of Five, (E)-3-{1-[(2-chloro-1,3-thiazol-5-yl)methyl]-1H-indol-3-yl}-2-(methylsulfonyl)-2-propenenitrile has 0 hydrogen bond donor(s) and 5 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 (E)-3-{1-[(2-chloro-1,3-thiazol-5-yl)methyl]-1H-indol-3-yl}-2-(methylsulfonyl)-2-propenenitrile?
The CAS number of (E)-3-{1-[(2-chloro-1,3-thiazol-5-yl)methyl]-1H-indol-3-yl}-2-(methylsulfonyl)-2-propenenitrile is 860787-40-2.
What is the molecular formula of (E)-3-{1-[(2-chloro-1,3-thiazol-5-yl)methyl]-1H-indol-3-yl}-2-(methylsulfonyl)-2-propenenitrile?
The molecular formula of (E)-3-{1-[(2-chloro-1,3-thiazol-5-yl)methyl]-1H-indol-3-yl}-2-(methylsulfonyl)-2-propenenitrile is C16H12ClN3O2S2.
What is the molecular weight of (E)-3-{1-[(2-chloro-1,3-thiazol-5-yl)methyl]-1H-indol-3-yl}-2-(methylsulfonyl)-2-propenenitrile?
The molecular weight of (E)-3-{1-[(2-chloro-1,3-thiazol-5-yl)methyl]-1H-indol-3-yl}-2-(methylsulfonyl)-2-propenenitrile is 377.01 g/mol.
Where can I buy (E)-3-{1-[(2-chloro-1,3-thiazol-5-yl)methyl]-1H-indol-3-yl}-2-(methylsulfonyl)-2-propenenitrile?
You can request a quote for (E)-3-{1-[(2-chloro-1,3-thiazol-5-yl)methyl]-1H-indol-3-yl}-2-(methylsulfonyl)-2-propenenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-3-{1-[(2-chloro-1,3-thiazol-5-yl)methyl]-1H-indol-3-yl}-2-(methylsulfonyl)-2-propenenitrile?
Yes, KEHONG BIO provides custom synthesis services for (E)-3-{1-[(2-chloro-1,3-thiazol-5-yl)methyl]-1H-indol-3-yl}-2-(methylsulfonyl)-2-propenenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.