![methyl 3-[2-[[4-acetyl-5-[[5-(2,2-dicyanoethenyl)-3-(3-methoxy-3-oxopropyl)-4-methyl-1H-pyrrol-2-yl]methyl]-3-methyl-1H-pyrrol-2-yl]methyl]-5-(2,2-dicyanoethenyl)-4-methyl-1H-pyrrol-3-yl]propanoate structure](/static/products/1885/18851-95-1.webp)
methyl 3-[2-[[4-acetyl-5-[[5-(2,2-dicyanoethenyl)-3-(3-methoxy-3-oxopropyl)-4-methyl-1H-pyrrol-2-yl]methyl]-3-methyl-1H-pyrrol-2-yl]methyl]-5-(2,2-dicyanoethenyl)-4-methyl-1H-pyrrol-3-yl]propanoate
TL;DR: methyl 3-[2-[[4-acetyl-5-[[5-(2,2-dicyanoethenyl)-3-(3-methoxy-3-oxopropyl)-4-methyl-1H-pyrrol-2-yl]methyl]-3-methyl-1H-pyrrol-2-yl]methyl]-5-(2,2-dicyanoethenyl)-4-methyl-1H-pyrrol-3-yl]propanoate (CAS 18851-95-1) is a chemical compound with molecular formula C35H35N7O5 and molecular weight 633.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[2-[[4-acetyl-5-[[5-(2,2-dicyanoethenyl)-3-(3-methoxy-3-oxopropyl)-4-methyl-1H-pyrrol-2-yl]methyl]-3-methyl-1H-pyrrol-2-yl]methyl]-5-(2,2-dicyanoethenyl)-4-methyl-1H-pyrrol-3-yl]propanoate
Also Known As: methyl 3-[2-[[4-acetyl-5-[[5-(2,2-dicyanoethenyl)-3-(3-methoxy-3-oxopropyl)-4-methyl-1H-pyrrol-2-yl]methyl]-3-methyl-1H-pyrrol-2-yl]methyl]-5-(2,2-dicyanoethenyl)-4-methyl-1H-pyrrol-3-yl]propanoate, Pyrrole-3-propionic acid, 2,2'-[(3-acetyl-4-methylpyrrole-2,5-diyl)dimethylene]bis[5-(2,2-dicyanovinyl)-4-methyl-, dimethyl ester, 2,2 -[(3-Acetyl-4-methyl-1H-pyrrole-2,5-diyl)dimethylene]bis[5-(2,2-dicyanovinyl)-4-methyl-1H-pyrrole-3-propionic acid methyl] ester, Methyl 3-[2-[(3-acetyl-5-([5-(2,2-dicyanovinyl)-3-(3-methoxy-3-oxopropyl)-4-methyl-1H-pyrrol-2-yl]methyl)-4-methyl-1H-pyrrol-2-yl)methyl]-5-(2,2-dicyanovinyl)-4-methyl-1H-pyrrol-3-yl]propanoate #, methyl 3-{2-[(4-acetyl-5-{[5-(2,2-dicyanoeth-1-en-1-yl)-3-(3-methoxy-3-oxopropyl)-4-methyl-1H-pyrrol-2-yl]methyl}-3-methyl-1H-pyrrol-2-yl)methyl]-5-(2,2-dicyanoeth-1-en-1-yl)-4-methyl-1H-pyrrol-3-yl}propanoate
| Molecular Formula | C35H35N7O5 |
|---|---|
| Molecular Weight | 633.27 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 212.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 15 |
| Exact Mass | 633.26996 |
| Heavy Atoms | 47 |
| Complexity | 1410.0 |
Chemical Identifiers
| CAS Number | 18851-95-1 |
|---|---|
| SMILES | CC1=C(NC(=C1CCC(=O)OC)CC2=C(C(=C(N2)CC3=C(C(=C(N3)C=C(C#N)C#N)C)CCC(=O)OC)C(=O)C)C)C=C(C#N)C#N |
| InChIKey | NCNZZSDVGXOBGY-UHFFFAOYSA-N |
Product Overview
methyl 3-[2-[[4-acetyl-5-[[5-(2,2-dicyanoethenyl)-3-(3-methoxy-3-oxopropyl)-4-methyl-1H-pyrrol-2-yl]methyl]-3-methyl-1H-pyrrol-2-yl]methyl]-5-(2,2-dicyanoethenyl)-4-methyl-1H-pyrrol-3-yl]propanoate (CAS 18851-95-1), with molecular formula C35H35N7O5 and molecular weight 633.27 g/mol. IUPAC: methyl 3-[2-[[4-acetyl-5-[[5-(2,2-dicyanoethenyl)-3-(3-methoxy-3-oxopropyl)-4-methyl-1H-pyrrol-2-yl]methyl]-3-methyl-1H-pyrrol-2-yl]methyl]-5-(2,2-dicyanoethenyl)-4-methyl-1H-pyrrol-3-yl]propanoate.
Chemical Property Profile of methyl 3-[2-[[4-acetyl-5-[[5-(2,2-dicyanoethenyl)-3-(3-methoxy-3-oxopropyl)-4-methyl-1H-pyrrol-2-yl]methyl]-3-methyl-1H-pyrrol-2-yl]methyl]-5-(2,2-dicyanoethenyl)-4-methyl-1H-pyrrol-3-yl]propanoate
Property Insights of methyl 3-[2-[[4-acetyl-5-[[5-(2,2-dicyanoethenyl)-3-(3-methoxy-3-oxopropyl)-4-methyl-1H-pyrrol-2-yl]methyl]-3-methyl-1H-pyrrol-2-yl]methyl]-5-(2,2-dicyanoethenyl)-4-methyl-1H-pyrrol-3-yl]propanoate
The XLogP value of 3.4 indicates that methyl 3-[2-[[4-acetyl-5-[[5-(2,2-dicyanoethenyl)-3-(3-methoxy-3-oxopropyl)-4-methyl-1H-pyrrol-2-yl]methyl]-3-methyl-1H-pyrrol-2-yl]methyl]-5-(2,2-dicyanoethenyl)-4-methyl-1H-pyrrol-3-yl]propanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 212.0 Ų indicates high polarity, suggesting methyl 3-[2-[[4-acetyl-5-[[5-(2,2-dicyanoethenyl)-3-(3-methoxy-3-oxopropyl)-4-methyl-1H-pyrrol-2-yl]methyl]-3-methyl-1H-pyrrol-2-yl]methyl]-5-(2,2-dicyanoethenyl)-4-methyl-1H-pyrrol-3-yl]propanoate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, methyl 3-[2-[[4-acetyl-5-[[5-(2,2-dicyanoethenyl)-3-(3-methoxy-3-oxopropyl)-4-methyl-1H-pyrrol-2-yl]methyl]-3-methyl-1H-pyrrol-2-yl]methyl]-5-(2,2-dicyanoethenyl)-4-methyl-1H-pyrrol-3-yl]propanoate has 3 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of methyl 3-[2-[[4-acetyl-5-[[5-(2,2-dicyanoethenyl)-3-(3-methoxy-3-oxopropyl)-4-methyl-1H-pyrrol-2-yl]methyl]-3-methyl-1H-pyrrol-2-yl]methyl]-5-(2,2-dicyanoethenyl)-4-methyl-1H-pyrrol-3-yl]propanoate?
The CAS number of methyl 3-[2-[[4-acetyl-5-[[5-(2,2-dicyanoethenyl)-3-(3-methoxy-3-oxopropyl)-4-methyl-1H-pyrrol-2-yl]methyl]-3-methyl-1H-pyrrol-2-yl]methyl]-5-(2,2-dicyanoethenyl)-4-methyl-1H-pyrrol-3-yl]propanoate is 18851-95-1.
What is the molecular formula of methyl 3-[2-[[4-acetyl-5-[[5-(2,2-dicyanoethenyl)-3-(3-methoxy-3-oxopropyl)-4-methyl-1H-pyrrol-2-yl]methyl]-3-methyl-1H-pyrrol-2-yl]methyl]-5-(2,2-dicyanoethenyl)-4-methyl-1H-pyrrol-3-yl]propanoate?
The molecular formula of methyl 3-[2-[[4-acetyl-5-[[5-(2,2-dicyanoethenyl)-3-(3-methoxy-3-oxopropyl)-4-methyl-1H-pyrrol-2-yl]methyl]-3-methyl-1H-pyrrol-2-yl]methyl]-5-(2,2-dicyanoethenyl)-4-methyl-1H-pyrrol-3-yl]propanoate is C35H35N7O5.
What is the molecular weight of methyl 3-[2-[[4-acetyl-5-[[5-(2,2-dicyanoethenyl)-3-(3-methoxy-3-oxopropyl)-4-methyl-1H-pyrrol-2-yl]methyl]-3-methyl-1H-pyrrol-2-yl]methyl]-5-(2,2-dicyanoethenyl)-4-methyl-1H-pyrrol-3-yl]propanoate?
The molecular weight of methyl 3-[2-[[4-acetyl-5-[[5-(2,2-dicyanoethenyl)-3-(3-methoxy-3-oxopropyl)-4-methyl-1H-pyrrol-2-yl]methyl]-3-methyl-1H-pyrrol-2-yl]methyl]-5-(2,2-dicyanoethenyl)-4-methyl-1H-pyrrol-3-yl]propanoate is 633.27 g/mol.
Where can I buy methyl 3-[2-[[4-acetyl-5-[[5-(2,2-dicyanoethenyl)-3-(3-methoxy-3-oxopropyl)-4-methyl-1H-pyrrol-2-yl]methyl]-3-methyl-1H-pyrrol-2-yl]methyl]-5-(2,2-dicyanoethenyl)-4-methyl-1H-pyrrol-3-yl]propanoate?
You can request a quote for methyl 3-[2-[[4-acetyl-5-[[5-(2,2-dicyanoethenyl)-3-(3-methoxy-3-oxopropyl)-4-methyl-1H-pyrrol-2-yl]methyl]-3-methyl-1H-pyrrol-2-yl]methyl]-5-(2,2-dicyanoethenyl)-4-methyl-1H-pyrrol-3-yl]propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 3-[2-[[4-acetyl-5-[[5-(2,2-dicyanoethenyl)-3-(3-methoxy-3-oxopropyl)-4-methyl-1H-pyrrol-2-yl]methyl]-3-methyl-1H-pyrrol-2-yl]methyl]-5-(2,2-dicyanoethenyl)-4-methyl-1H-pyrrol-3-yl]propanoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 3-[2-[[4-acetyl-5-[[5-(2,2-dicyanoethenyl)-3-(3-methoxy-3-oxopropyl)-4-methyl-1H-pyrrol-2-yl]methyl]-3-methyl-1H-pyrrol-2-yl]methyl]-5-(2,2-dicyanoethenyl)-4-methyl-1H-pyrrol-3-yl]propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.