![3-[1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-cyano-N-(2-methylphenyl)acrylamide structure](/static/products/5913/5913-05-3.webp)
3-[1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-cyano-N-(2-methylphenyl)acrylamide
TL;DR: 3-[1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-cyano-N-(2-methylphenyl)acrylamide (CAS 5913-05-3) is a chemical compound with molecular formula C23H20ClN3O and molecular weight 389.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]-2-cyano-N-(2-methylphenyl)prop-2-enamide
Also Known As: 3-[1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-cyano-N-(2-methylphenyl)acrylamide, (2E)-3-[1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-cyano-N-(2-methylphenyl)prop-2-enamide, (E)-3-[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]-2-cyano-N-(2-methylphenyl)prop-2-enamide
| Molecular Formula | C23H20ClN3O |
|---|---|
| Molecular Weight | 389.13 g/mol |
| LogP | 5.60164 |
| Topological Polar Surface Area | 57.82 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 389.1295 |
| Heavy Atoms | 28 |
| Complexity | 1101.8663 |
Chemical Identifiers
| CAS Number | 5913-05-3 |
|---|---|
| SMILES | CC1=CC=CC=C1NC(=O)/C(=C/C2=C(N(C(=C2)C)C3=CC=C(C=C3)Cl)C)/C#N |
Product Overview
3-[1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-cyano-N-(2-methylphenyl)acrylamide (CAS 5913-05-3), with molecular formula C23H20ClN3O and molecular weight 389.13 g/mol. IUPAC: (E)-3-[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]-2-cyano-N-(2-methylphenyl)prop-2-enamide.
Chemical Property Profile of 3-[1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-cyano-N-(2-methylphenyl)acrylamide
Property Insights of 3-[1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-cyano-N-(2-methylphenyl)acrylamide
The XLogP value of 5.60164 indicates that 3-[1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-cyano-N-(2-methylphenyl)acrylamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.82 Ų, 3-[1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-cyano-N-(2-methylphenyl)acrylamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-cyano-N-(2-methylphenyl)acrylamide has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-[1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-cyano-N-(2-methylphenyl)acrylamide?
The CAS number of 3-[1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-cyano-N-(2-methylphenyl)acrylamide is 5913-05-3.
What is the molecular formula of 3-[1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-cyano-N-(2-methylphenyl)acrylamide?
The molecular formula of 3-[1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-cyano-N-(2-methylphenyl)acrylamide is C23H20ClN3O.
What is the molecular weight of 3-[1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-cyano-N-(2-methylphenyl)acrylamide?
The molecular weight of 3-[1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-cyano-N-(2-methylphenyl)acrylamide is 389.13 g/mol.
Where can I buy 3-[1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-cyano-N-(2-methylphenyl)acrylamide?
You can request a quote for 3-[1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-cyano-N-(2-methylphenyl)acrylamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-cyano-N-(2-methylphenyl)acrylamide?
Yes, KEHONG BIO provides custom synthesis services for 3-[1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-cyano-N-(2-methylphenyl)acrylamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.