![methyl 4-(3-{(1Z)-2-cyano-3-[(2-methylphenyl)amino]-3-oxoprop-1-en-1-yl}-2,5-dimethyl-1H-pyrrol-1-yl)benzoate structure](/static/products/3403/340313-36-2.webp)
methyl 4-(3-{(1Z)-2-cyano-3-[(2-methylphenyl)amino]-3-oxoprop-1-en-1-yl}-2,5-dimethyl-1H-pyrrol-1-yl)benzoate
TL;DR: methyl 4-(3-{(1Z)-2-cyano-3-[(2-methylphenyl)amino]-3-oxoprop-1-en-1-yl}-2,5-dimethyl-1H-pyrrol-1-yl)benzoate (CAS 340313-36-2) is a chemical compound with molecular formula C25H23N3O3 and molecular weight 413.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[3-[(Z)-2-cyano-3-(2-methylanilino)-3-oxoprop-1-enyl]-2,5-dimethylpyrrol-1-yl]benzoate
Also Known As: methyl 4-(3-{(1Z)-2-cyano-3-[(2-methylphenyl)amino]-3-oxoprop-1-en-1-yl}-2,5-dimethyl-1H-pyrrol-1-yl)benzoate, (Z)-methyl 4-(3-(2-cyano-3-oxo-3-(o-tolylamino)prop-1-en-1-yl)-2,5-dimethyl-1H-pyrrol-1-yl)benzoate, methyl 4-[3-[(Z)-2-cyano-3-(2-methylanilino)-3-oxoprop-1-enyl]-2,5-dimethylpyrrol-1-yl]benzoate
| Molecular Formula | C25H23N3O3 |
|---|---|
| Molecular Weight | 413.17 g/mol |
| LogP | 4.73484 |
| Topological Polar Surface Area | 84.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 413.17395 |
| Heavy Atoms | 31 |
| Complexity | 1211.7994 |
Chemical Identifiers
| CAS Number | 340313-36-2 |
|---|---|
| SMILES | CC1=CC=CC=C1NC(=O)/C(=C\C2=C(N(C(=C2)C)C3=CC=C(C=C3)C(=O)OC)C)/C#N |
Product Overview
methyl 4-(3-{(1Z)-2-cyano-3-[(2-methylphenyl)amino]-3-oxoprop-1-en-1-yl}-2,5-dimethyl-1H-pyrrol-1-yl)benzoate (CAS 340313-36-2), with molecular formula C25H23N3O3 and molecular weight 413.17 g/mol. IUPAC: methyl 4-[3-[(Z)-2-cyano-3-(2-methylanilino)-3-oxoprop-1-enyl]-2,5-dimethylpyrrol-1-yl]benzoate.
Chemical Property Profile of methyl 4-(3-{(1Z)-2-cyano-3-[(2-methylphenyl)amino]-3-oxoprop-1-en-1-yl}-2,5-dimethyl-1H-pyrrol-1-yl)benzoate
Property Insights of methyl 4-(3-{(1Z)-2-cyano-3-[(2-methylphenyl)amino]-3-oxoprop-1-en-1-yl}-2,5-dimethyl-1H-pyrrol-1-yl)benzoate
The XLogP value of 4.73484 indicates that methyl 4-(3-{(1Z)-2-cyano-3-[(2-methylphenyl)amino]-3-oxoprop-1-en-1-yl}-2,5-dimethyl-1H-pyrrol-1-yl)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.12 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 4-(3-{(1Z)-2-cyano-3-[(2-methylphenyl)amino]-3-oxoprop-1-en-1-yl}-2,5-dimethyl-1H-pyrrol-1-yl)benzoate. Following Lipinski's Rule of Five, methyl 4-(3-{(1Z)-2-cyano-3-[(2-methylphenyl)amino]-3-oxoprop-1-en-1-yl}-2,5-dimethyl-1H-pyrrol-1-yl)benzoate has 1 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 methyl 4-(3-{(1Z)-2-cyano-3-[(2-methylphenyl)amino]-3-oxoprop-1-en-1-yl}-2,5-dimethyl-1H-pyrrol-1-yl)benzoate?
The CAS number of methyl 4-(3-{(1Z)-2-cyano-3-[(2-methylphenyl)amino]-3-oxoprop-1-en-1-yl}-2,5-dimethyl-1H-pyrrol-1-yl)benzoate is 340313-36-2.
What is the molecular formula of methyl 4-(3-{(1Z)-2-cyano-3-[(2-methylphenyl)amino]-3-oxoprop-1-en-1-yl}-2,5-dimethyl-1H-pyrrol-1-yl)benzoate?
The molecular formula of methyl 4-(3-{(1Z)-2-cyano-3-[(2-methylphenyl)amino]-3-oxoprop-1-en-1-yl}-2,5-dimethyl-1H-pyrrol-1-yl)benzoate is C25H23N3O3.
What is the molecular weight of methyl 4-(3-{(1Z)-2-cyano-3-[(2-methylphenyl)amino]-3-oxoprop-1-en-1-yl}-2,5-dimethyl-1H-pyrrol-1-yl)benzoate?
The molecular weight of methyl 4-(3-{(1Z)-2-cyano-3-[(2-methylphenyl)amino]-3-oxoprop-1-en-1-yl}-2,5-dimethyl-1H-pyrrol-1-yl)benzoate is 413.17 g/mol.
Where can I buy methyl 4-(3-{(1Z)-2-cyano-3-[(2-methylphenyl)amino]-3-oxoprop-1-en-1-yl}-2,5-dimethyl-1H-pyrrol-1-yl)benzoate?
You can request a quote for methyl 4-(3-{(1Z)-2-cyano-3-[(2-methylphenyl)amino]-3-oxoprop-1-en-1-yl}-2,5-dimethyl-1H-pyrrol-1-yl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 4-(3-{(1Z)-2-cyano-3-[(2-methylphenyl)amino]-3-oxoprop-1-en-1-yl}-2,5-dimethyl-1H-pyrrol-1-yl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-(3-{(1Z)-2-cyano-3-[(2-methylphenyl)amino]-3-oxoprop-1-en-1-yl}-2,5-dimethyl-1H-pyrrol-1-yl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.