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(E)-2-cyano-3-[1-(3,5-dichlorophenyl)-2,5-dimethylpyrrol-3-yl]prop-2-enamide
TL;DR: (E)-2-cyano-3-[1-(3,5-dichlorophenyl)-2,5-dimethylpyrrol-3-yl]prop-2-enamide (CAS 444072-66-6) is a chemical compound with molecular formula C16H13Cl2N3O and molecular weight 333.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-2-cyano-3-[1-(3,5-dichlorophenyl)-2,5-dimethylpyrrol-3-yl]prop-2-enamide
Also Known As: (E)-2-cyano-3-[1-(3,5-dichlorophenyl)-2,5-dimethylpyrrol-3-yl]prop-2-enamide, 2-CYANO-3-[1-(3,5-DICHLOROPHENYL)-2,5-DIMETHYL-1H-PYRROL-3-YL]ACRYLAMIDE, 2-cyano-3-[1-(3,5-dichlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]prop-2-enamide, 2-cyano-3-[1-(3,5-dichlorophenyl)-2,5-dimethyl-pyrrol-3-yl]prop-2-enamide
| Molecular Formula | C16H13Cl2N3O |
|---|---|
| Molecular Weight | 333.04 g/mol |
| LogP | 3.79322 |
| Topological Polar Surface Area | 71.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 333.04358 |
| Heavy Atoms | 22 |
| Complexity | 808.397 |
Chemical Identifiers
| CAS Number | 444072-66-6 |
|---|---|
| SMILES | CC1=CC(=C(N1C2=CC(=CC(=C2)Cl)Cl)C)/C=C(\C#N)/C(=O)N |
Product Overview
(E)-2-cyano-3-[1-(3,5-dichlorophenyl)-2,5-dimethylpyrrol-3-yl]prop-2-enamide (CAS 444072-66-6), with molecular formula C16H13Cl2N3O and molecular weight 333.04 g/mol. IUPAC: (E)-2-cyano-3-[1-(3,5-dichlorophenyl)-2,5-dimethylpyrrol-3-yl]prop-2-enamide.
Chemical Property Profile of (E)-2-cyano-3-[1-(3,5-dichlorophenyl)-2,5-dimethylpyrrol-3-yl]prop-2-enamide
Property Insights of (E)-2-cyano-3-[1-(3,5-dichlorophenyl)-2,5-dimethylpyrrol-3-yl]prop-2-enamide
The XLogP value of 3.79322 indicates that (E)-2-cyano-3-[1-(3,5-dichlorophenyl)-2,5-dimethylpyrrol-3-yl]prop-2-enamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.81 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-2-cyano-3-[1-(3,5-dichlorophenyl)-2,5-dimethylpyrrol-3-yl]prop-2-enamide. Following Lipinski's Rule of Five, (E)-2-cyano-3-[1-(3,5-dichlorophenyl)-2,5-dimethylpyrrol-3-yl]prop-2-enamide 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-(3,5-dichlorophenyl)-2,5-dimethylpyrrol-3-yl]prop-2-enamide?
The CAS number of (E)-2-cyano-3-[1-(3,5-dichlorophenyl)-2,5-dimethylpyrrol-3-yl]prop-2-enamide is 444072-66-6.
What is the molecular formula of (E)-2-cyano-3-[1-(3,5-dichlorophenyl)-2,5-dimethylpyrrol-3-yl]prop-2-enamide?
The molecular formula of (E)-2-cyano-3-[1-(3,5-dichlorophenyl)-2,5-dimethylpyrrol-3-yl]prop-2-enamide is C16H13Cl2N3O.
What is the molecular weight of (E)-2-cyano-3-[1-(3,5-dichlorophenyl)-2,5-dimethylpyrrol-3-yl]prop-2-enamide?
The molecular weight of (E)-2-cyano-3-[1-(3,5-dichlorophenyl)-2,5-dimethylpyrrol-3-yl]prop-2-enamide is 333.04 g/mol.
Where can I buy (E)-2-cyano-3-[1-(3,5-dichlorophenyl)-2,5-dimethylpyrrol-3-yl]prop-2-enamide?
You can request a quote for (E)-2-cyano-3-[1-(3,5-dichlorophenyl)-2,5-dimethylpyrrol-3-yl]prop-2-enamide 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-(3,5-dichlorophenyl)-2,5-dimethylpyrrol-3-yl]prop-2-enamide?
Yes, KEHONG BIO provides custom synthesis services for (E)-2-cyano-3-[1-(3,5-dichlorophenyl)-2,5-dimethylpyrrol-3-yl]prop-2-enamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.