![METHYL 3-[3-[(Z)-2-CYANO-2-[(2-METHYLPHENYL)CARBAMOYL]ETHENYL]-2,5-DIMETHYL-PYRROL-1-YL]BENZOATE structure](/static/products/5910/5910-73-6.webp)
METHYL 3-[3-[(Z)-2-CYANO-2-[(2-METHYLPHENYL)CARBAMOYL]ETHENYL]-2,5-DIMETHYL-PYRROL-1-YL]BENZOATE
TL;DR: METHYL 3-[3-[(Z)-2-CYANO-2-[(2-METHYLPHENYL)CARBAMOYL]ETHENYL]-2,5-DIMETHYL-PYRROL-1-YL]BENZOATE (CAS 5910-73-6) 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 3-[3-[2-cyano-3-(2-methylanilino)-3-oxoprop-1-enyl]-2,5-dimethylpyrrol-1-yl]benzoate
Also Known As: METHYL 3-[3-[(Z)-2-CYANO-2-[(2-METHYLPHENYL)CARBAMOYL]ETHENYL]-2,5-DIMETHYL-PYRROL-1-YL]BENZOATE, methyl 3-[3-[2-cyano-3-(2-methylanilino)-3-oxoprop-1-enyl]-2,5-dimethylpyrrol-1-yl]benzoate, Methyl 3-{3-[2-cyano-3-(2-methylanilino)-3-oxoprop-1-en-1-yl]-2,5-dimethyl-1H-pyrrol-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 | 1229.0494 |
Chemical Identifiers
| CAS Number | 5910-73-6 |
|---|---|
| SMILES | CC1=CC=CC=C1NC(=O)C(=CC2=C(N(C(=C2)C)C3=CC=CC(=C3)C(=O)OC)C)C#N |
Product Overview
METHYL 3-[3-[(Z)-2-CYANO-2-[(2-METHYLPHENYL)CARBAMOYL]ETHENYL]-2,5-DIMETHYL-PYRROL-1-YL]BENZOATE (CAS 5910-73-6), with molecular formula C25H23N3O3 and molecular weight 413.17 g/mol. IUPAC: methyl 3-[3-[2-cyano-3-(2-methylanilino)-3-oxoprop-1-enyl]-2,5-dimethylpyrrol-1-yl]benzoate.
Chemical Property Profile of METHYL 3-[3-[(Z)-2-CYANO-2-[(2-METHYLPHENYL)CARBAMOYL]ETHENYL]-2,5-DIMETHYL-PYRROL-1-YL]BENZOATE
Property Insights of METHYL 3-[3-[(Z)-2-CYANO-2-[(2-METHYLPHENYL)CARBAMOYL]ETHENYL]-2,5-DIMETHYL-PYRROL-1-YL]BENZOATE
The XLogP value of 4.73484 indicates that METHYL 3-[3-[(Z)-2-CYANO-2-[(2-METHYLPHENYL)CARBAMOYL]ETHENYL]-2,5-DIMETHYL-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 3-[3-[(Z)-2-CYANO-2-[(2-METHYLPHENYL)CARBAMOYL]ETHENYL]-2,5-DIMETHYL-PYRROL-1-YL]BENZOATE. Following Lipinski's Rule of Five, METHYL 3-[3-[(Z)-2-CYANO-2-[(2-METHYLPHENYL)CARBAMOYL]ETHENYL]-2,5-DIMETHYL-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 3-[3-[(Z)-2-CYANO-2-[(2-METHYLPHENYL)CARBAMOYL]ETHENYL]-2,5-DIMETHYL-PYRROL-1-YL]BENZOATE?
The CAS number of METHYL 3-[3-[(Z)-2-CYANO-2-[(2-METHYLPHENYL)CARBAMOYL]ETHENYL]-2,5-DIMETHYL-PYRROL-1-YL]BENZOATE is 5910-73-6.
What is the molecular formula of METHYL 3-[3-[(Z)-2-CYANO-2-[(2-METHYLPHENYL)CARBAMOYL]ETHENYL]-2,5-DIMETHYL-PYRROL-1-YL]BENZOATE?
The molecular formula of METHYL 3-[3-[(Z)-2-CYANO-2-[(2-METHYLPHENYL)CARBAMOYL]ETHENYL]-2,5-DIMETHYL-PYRROL-1-YL]BENZOATE is C25H23N3O3.
What is the molecular weight of METHYL 3-[3-[(Z)-2-CYANO-2-[(2-METHYLPHENYL)CARBAMOYL]ETHENYL]-2,5-DIMETHYL-PYRROL-1-YL]BENZOATE?
The molecular weight of METHYL 3-[3-[(Z)-2-CYANO-2-[(2-METHYLPHENYL)CARBAMOYL]ETHENYL]-2,5-DIMETHYL-PYRROL-1-YL]BENZOATE is 413.17 g/mol.
Where can I buy METHYL 3-[3-[(Z)-2-CYANO-2-[(2-METHYLPHENYL)CARBAMOYL]ETHENYL]-2,5-DIMETHYL-PYRROL-1-YL]BENZOATE?
You can request a quote for METHYL 3-[3-[(Z)-2-CYANO-2-[(2-METHYLPHENYL)CARBAMOYL]ETHENYL]-2,5-DIMETHYL-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 3-[3-[(Z)-2-CYANO-2-[(2-METHYLPHENYL)CARBAMOYL]ETHENYL]-2,5-DIMETHYL-PYRROL-1-YL]BENZOATE?
Yes, KEHONG BIO provides custom synthesis services for METHYL 3-[3-[(Z)-2-CYANO-2-[(2-METHYLPHENYL)CARBAMOYL]ETHENYL]-2,5-DIMETHYL-PYRROL-1-YL]BENZOATE and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.