![methyl 3-[3-[(Z)-3-(benzylamino)-2-cyano-3-oxoprop-1-enyl]-2,5-dimethylpyrrol-1-yl]benzoate structure](/static/products/3403/340301-03-3.webp)
methyl 3-[3-[(Z)-3-(benzylamino)-2-cyano-3-oxoprop-1-enyl]-2,5-dimethylpyrrol-1-yl]benzoate
TL;DR: methyl 3-[3-[(Z)-3-(benzylamino)-2-cyano-3-oxoprop-1-enyl]-2,5-dimethylpyrrol-1-yl]benzoate (CAS 340301-03-3) 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-[(Z)-3-(benzylamino)-2-cyano-3-oxoprop-1-enyl]-2,5-dimethylpyrrol-1-yl]benzoate
Also Known As: methyl 3-[3-[(Z)-3-(benzylamino)-2-cyano-3-oxoprop-1-enyl]-2,5-dimethylpyrrol-1-yl]benzoate, methyl 3-{3-[(1Z)-3-(benzylamino)-2-cyano-3-oxoprop-1-en-1-yl]-2,5-dimethyl-1H-pyrrol-1-yl}benzoate, (Z)-methyl 3-(3-(3-(benzylamino)-2-cyano-3-oxoprop-1-en-1-yl)-2,5-dimethyl-1H-pyrrol-1-yl)benzoate
| Molecular Formula | C25H23N3O3 |
|---|---|
| Molecular Weight | 413.17 g/mol |
| LogP | 4.10412 |
| Topological Polar Surface Area | 84.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 413.17395 |
| Heavy Atoms | 31 |
| Complexity | 1184.4664 |
Chemical Identifiers
| CAS Number | 340301-03-3 |
|---|---|
| SMILES | CC1=CC(=C(N1C2=CC=CC(=C2)C(=O)OC)C)/C=C(/C#N)\C(=O)NCC3=CC=CC=C3 |
Product Overview
methyl 3-[3-[(Z)-3-(benzylamino)-2-cyano-3-oxoprop-1-enyl]-2,5-dimethylpyrrol-1-yl]benzoate (CAS 340301-03-3), with molecular formula C25H23N3O3 and molecular weight 413.17 g/mol. IUPAC: methyl 3-[3-[(Z)-3-(benzylamino)-2-cyano-3-oxoprop-1-enyl]-2,5-dimethylpyrrol-1-yl]benzoate.
Chemical Property Profile of methyl 3-[3-[(Z)-3-(benzylamino)-2-cyano-3-oxoprop-1-enyl]-2,5-dimethylpyrrol-1-yl]benzoate
Property Insights of methyl 3-[3-[(Z)-3-(benzylamino)-2-cyano-3-oxoprop-1-enyl]-2,5-dimethylpyrrol-1-yl]benzoate
The XLogP value of 4.10412 indicates that methyl 3-[3-[(Z)-3-(benzylamino)-2-cyano-3-oxoprop-1-enyl]-2,5-dimethylpyrrol-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)-3-(benzylamino)-2-cyano-3-oxoprop-1-enyl]-2,5-dimethylpyrrol-1-yl]benzoate. Following Lipinski's Rule of Five, methyl 3-[3-[(Z)-3-(benzylamino)-2-cyano-3-oxoprop-1-enyl]-2,5-dimethylpyrrol-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)-3-(benzylamino)-2-cyano-3-oxoprop-1-enyl]-2,5-dimethylpyrrol-1-yl]benzoate?
The CAS number of methyl 3-[3-[(Z)-3-(benzylamino)-2-cyano-3-oxoprop-1-enyl]-2,5-dimethylpyrrol-1-yl]benzoate is 340301-03-3.
What is the molecular formula of methyl 3-[3-[(Z)-3-(benzylamino)-2-cyano-3-oxoprop-1-enyl]-2,5-dimethylpyrrol-1-yl]benzoate?
The molecular formula of methyl 3-[3-[(Z)-3-(benzylamino)-2-cyano-3-oxoprop-1-enyl]-2,5-dimethylpyrrol-1-yl]benzoate is C25H23N3O3.
What is the molecular weight of methyl 3-[3-[(Z)-3-(benzylamino)-2-cyano-3-oxoprop-1-enyl]-2,5-dimethylpyrrol-1-yl]benzoate?
The molecular weight of methyl 3-[3-[(Z)-3-(benzylamino)-2-cyano-3-oxoprop-1-enyl]-2,5-dimethylpyrrol-1-yl]benzoate is 413.17 g/mol.
Where can I buy methyl 3-[3-[(Z)-3-(benzylamino)-2-cyano-3-oxoprop-1-enyl]-2,5-dimethylpyrrol-1-yl]benzoate?
You can request a quote for methyl 3-[3-[(Z)-3-(benzylamino)-2-cyano-3-oxoprop-1-enyl]-2,5-dimethylpyrrol-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)-3-(benzylamino)-2-cyano-3-oxoprop-1-enyl]-2,5-dimethylpyrrol-1-yl]benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 3-[3-[(Z)-3-(benzylamino)-2-cyano-3-oxoprop-1-enyl]-2,5-dimethylpyrrol-1-yl]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.