(E)-2-Cyano-3-(1-methyl-5-p-tolyl-1H-pyrrol-2-yl)-thioacrylamide
TL;DR: (E)-2-Cyano-3-(1-methyl-5-p-tolyl-1H-pyrrol-2-yl)-thioacrylamide (CAS 847045-22-1) is a chemical compound with molecular formula C16H15N3S and molecular weight 281.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-2-cyano-3-[1-methyl-5-(4-methylphenyl)pyrrol-2-yl]prop-2-enethioamide
Also Known As: (E)-2-Cyano-3-(1-methyl-5-p-tolyl-1H-pyrrol-2-yl)-thioacrylamide, (E)-2-cyano-3-[1-methyl-5-(4-methylphenyl)pyrrol-2-yl]prop-2-enethioamide, (2E)-2-cyano-3-[1-methyl-5-(4-methylphenyl)-1H-pyrrol-2-yl]prop-2-enethioamide, (E)-2-cyano-3-[1-methyl-5-(p-tolyl)pyrrol-2-yl]thioacrylamide, (E)-2-cyano-3-(1-methyl-5-(p-tolyl)-1H-pyrrol-2-yl)prop-2-enethioamide
| Molecular Formula | C16H15N3S |
|---|---|
| Molecular Weight | 281.10 g/mol |
| LogP | 3.1936 |
| Topological Polar Surface Area | 54.74 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 281.09866 |
| Heavy Atoms | 20 |
| Complexity | 715.17053 |
Chemical Identifiers
| CAS Number | 847045-22-1 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=CC=C(N2C)/C=C(\C#N)/C(=S)N |
Product Overview
(E)-2-Cyano-3-(1-methyl-5-p-tolyl-1H-pyrrol-2-yl)-thioacrylamide (CAS 847045-22-1), with molecular formula C16H15N3S and molecular weight 281.10 g/mol. IUPAC: (E)-2-cyano-3-[1-methyl-5-(4-methylphenyl)pyrrol-2-yl]prop-2-enethioamide.
Chemical Property Profile of (E)-2-Cyano-3-(1-methyl-5-p-tolyl-1H-pyrrol-2-yl)-thioacrylamide
Property Insights of (E)-2-Cyano-3-(1-methyl-5-p-tolyl-1H-pyrrol-2-yl)-thioacrylamide
The XLogP value of 3.1936 indicates that (E)-2-Cyano-3-(1-methyl-5-p-tolyl-1H-pyrrol-2-yl)-thioacrylamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.74 Ų, (E)-2-Cyano-3-(1-methyl-5-p-tolyl-1H-pyrrol-2-yl)-thioacrylamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-2-Cyano-3-(1-methyl-5-p-tolyl-1H-pyrrol-2-yl)-thioacrylamide 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 (E)-2-Cyano-3-(1-methyl-5-p-tolyl-1H-pyrrol-2-yl)-thioacrylamide?
The CAS number of (E)-2-Cyano-3-(1-methyl-5-p-tolyl-1H-pyrrol-2-yl)-thioacrylamide is 847045-22-1.
What is the molecular formula of (E)-2-Cyano-3-(1-methyl-5-p-tolyl-1H-pyrrol-2-yl)-thioacrylamide?
The molecular formula of (E)-2-Cyano-3-(1-methyl-5-p-tolyl-1H-pyrrol-2-yl)-thioacrylamide is C16H15N3S.
What is the molecular weight of (E)-2-Cyano-3-(1-methyl-5-p-tolyl-1H-pyrrol-2-yl)-thioacrylamide?
The molecular weight of (E)-2-Cyano-3-(1-methyl-5-p-tolyl-1H-pyrrol-2-yl)-thioacrylamide is 281.10 g/mol.
Where can I buy (E)-2-Cyano-3-(1-methyl-5-p-tolyl-1H-pyrrol-2-yl)-thioacrylamide?
You can request a quote for (E)-2-Cyano-3-(1-methyl-5-p-tolyl-1H-pyrrol-2-yl)-thioacrylamide 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-3-(1-methyl-5-p-tolyl-1H-pyrrol-2-yl)-thioacrylamide?
Yes, KEHONG BIO provides custom synthesis services for (E)-2-Cyano-3-(1-methyl-5-p-tolyl-1H-pyrrol-2-yl)-thioacrylamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.