(E)-2-cyano-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-(1H-indol-3-yl)acrylamide
TL;DR: (E)-2-cyano-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-(1H-indol-3-yl)acrylamide (CAS 879858-80-7) is a chemical compound with molecular formula C16H15N3O3S and molecular weight 329.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-2-cyano-N-(1,1-dioxothiolan-3-yl)-3-(1H-indol-3-yl)prop-2-enamide
Also Known As: AB00675610-01, F1673-2100, (2E)-2-cyano-N-(1,1-dioxo-1lambda6-thiolan-3-yl)-3-(1H-indol-3-yl)prop-2-enamide, (E)-2-cyano-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-(1H-indol-3-yl)acrylamide, (E)-2-cyano-N-(1,1-dioxothiolan-3-yl)-3-(1H-indol-3-yl)prop-2-enamide
| Molecular Formula | C16H15N3O3S |
|---|---|
| Molecular Weight | 329.08 g/mol |
| LogP | 1.37818 |
| Topological Polar Surface Area | 102.82 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 329.0834 |
| Heavy Atoms | 23 |
| Complexity | 934.87634 |
Chemical Identifiers
| CAS Number | 879858-80-7 |
|---|---|
| SMILES | C1CS(=O)(=O)CC1NC(=O)/C(=C/C2=CNC3=CC=CC=C32)/C#N |
Product Overview
(E)-2-cyano-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-(1H-indol-3-yl)acrylamide (CAS 879858-80-7), with molecular formula C16H15N3O3S and molecular weight 329.08 g/mol. IUPAC: (E)-2-cyano-N-(1,1-dioxothiolan-3-yl)-3-(1H-indol-3-yl)prop-2-enamide.
Chemical Property Profile of (E)-2-cyano-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-(1H-indol-3-yl)acrylamide
Property Insights of (E)-2-cyano-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-(1H-indol-3-yl)acrylamide
The XLogP value of 1.37818 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-2-cyano-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-(1H-indol-3-yl)acrylamide. The TPSA of 102.82 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-2-cyano-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-(1H-indol-3-yl)acrylamide. Following Lipinski's Rule of Five, (E)-2-cyano-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-(1H-indol-3-yl)acrylamide 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 (E)-2-cyano-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-(1H-indol-3-yl)acrylamide?
The CAS number of (E)-2-cyano-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-(1H-indol-3-yl)acrylamide is 879858-80-7.
What is the molecular formula of (E)-2-cyano-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-(1H-indol-3-yl)acrylamide?
The molecular formula of (E)-2-cyano-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-(1H-indol-3-yl)acrylamide is C16H15N3O3S.
What is the molecular weight of (E)-2-cyano-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-(1H-indol-3-yl)acrylamide?
The molecular weight of (E)-2-cyano-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-(1H-indol-3-yl)acrylamide is 329.08 g/mol.
Where can I buy (E)-2-cyano-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-(1H-indol-3-yl)acrylamide?
You can request a quote for (E)-2-cyano-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-(1H-indol-3-yl)acrylamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-2-cyano-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-(1H-indol-3-yl)acrylamide?
Yes, KEHONG BIO provides custom synthesis services for (E)-2-cyano-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-(1H-indol-3-yl)acrylamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.