methyl 4-(1-methyl-1H-pyrrol-2-yl)-2,4-dioxobutanoate
TL;DR: methyl 4-(1-methyl-1H-pyrrol-2-yl)-2,4-dioxobutanoate (CAS 881441-91-4) is a chemical compound with molecular formula C10H11NO4 and molecular weight 209.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(1-methylpyrrol-2-yl)-2,4-dioxobutanoate
Also Known As: methyl 4-(1-methyl-1H-pyrrol-2-yl)-2,4-dioxobutanoate, methyl 4-(1-methylpyrrol-2-yl)-2,4-dioxobutanoate, VU0607305-1, Methyl 4-(1-Methyl-2-pyrrolyl)-2,4-dioxobutanoate, methyl 4-(1-methyl-2-pyrrolyl)-2,4-dioxobutyrate
| Molecular Formula | C10H11NO4 |
|---|---|
| Molecular Weight | 209.07 g/mol |
| LogP | 0.34 |
| Topological Polar Surface Area | 65.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 209.0688 |
| Heavy Atoms | 15 |
| Complexity | 405.3098 |
Chemical Identifiers
| CAS Number | 881441-91-4 |
|---|---|
| SMILES | CN1C=CC=C1C(=O)CC(=O)C(=O)OC |
Product Overview
methyl 4-(1-methyl-1H-pyrrol-2-yl)-2,4-dioxobutanoate (CAS 881441-91-4), with molecular formula C10H11NO4 and molecular weight 209.07 g/mol. IUPAC: methyl 4-(1-methylpyrrol-2-yl)-2,4-dioxobutanoate.
Chemical Property Profile of methyl 4-(1-methyl-1H-pyrrol-2-yl)-2,4-dioxobutanoate
Property Insights of methyl 4-(1-methyl-1H-pyrrol-2-yl)-2,4-dioxobutanoate
The XLogP value of 0.34 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 4-(1-methyl-1H-pyrrol-2-yl)-2,4-dioxobutanoate. The TPSA of 65.37 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 4-(1-methyl-1H-pyrrol-2-yl)-2,4-dioxobutanoate. Following Lipinski's Rule of Five, methyl 4-(1-methyl-1H-pyrrol-2-yl)-2,4-dioxobutanoate has 0 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-(1-methyl-1H-pyrrol-2-yl)-2,4-dioxobutanoate?
The CAS number of methyl 4-(1-methyl-1H-pyrrol-2-yl)-2,4-dioxobutanoate is 881441-91-4.
What is the molecular formula of methyl 4-(1-methyl-1H-pyrrol-2-yl)-2,4-dioxobutanoate?
The molecular formula of methyl 4-(1-methyl-1H-pyrrol-2-yl)-2,4-dioxobutanoate is C10H11NO4.
What is the molecular weight of methyl 4-(1-methyl-1H-pyrrol-2-yl)-2,4-dioxobutanoate?
The molecular weight of methyl 4-(1-methyl-1H-pyrrol-2-yl)-2,4-dioxobutanoate is 209.07 g/mol.
Where can I buy methyl 4-(1-methyl-1H-pyrrol-2-yl)-2,4-dioxobutanoate?
You can request a quote for methyl 4-(1-methyl-1H-pyrrol-2-yl)-2,4-dioxobutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 4-(1-methyl-1H-pyrrol-2-yl)-2,4-dioxobutanoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-(1-methyl-1H-pyrrol-2-yl)-2,4-dioxobutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.