5-(Hydroxymethyl)-3-methyl-1H-pyrrole-2,4-dicarboxylicacid diethyl ester
TL;DR: 5-(Hydroxymethyl)-3-methyl-1H-pyrrole-2,4-dicarboxylicacid diethyl ester (CAS 5422-89-9) is a chemical compound with molecular formula C12H17NO5 and molecular weight 255.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 5-(hydroxymethyl)-3-methyl-1H-pyrrole-2,4-dicarboxylate
Also Known As: Pyrrole Analogue 3, J2.204.835J, 5-(Hydroxymethyl)-3-methyl-1H-pyrrole-2,4-dicarboxylicacid diethyl ester, diethyl 5-(hydroxymethyl)-3-methyl-1H-pyrrole-2,4-dicarboxylate, 3,5-bisethoxycarbonyl-2-hydroxymethyl-4-methylpyrrole
| Molecular Formula | C12H17NO5 |
|---|---|
| Molecular Weight | 255.11 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 88.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 255.11067 |
| Heavy Atoms | 18 |
| Complexity | 307.0 |
Chemical Identifiers
| CAS Number | 5422-89-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(NC(=C1C)C(=O)OCC)CO |
| InChIKey | MJDIWVWPQXHGAJ-UHFFFAOYSA-N |
Product Overview
5-(Hydroxymethyl)-3-methyl-1H-pyrrole-2,4-dicarboxylicacid diethyl ester (CAS 5422-89-9), with molecular formula C12H17NO5 and molecular weight 255.11 g/mol. IUPAC: diethyl 5-(hydroxymethyl)-3-methyl-1H-pyrrole-2,4-dicarboxylate.
Chemical Property Profile of 5-(Hydroxymethyl)-3-methyl-1H-pyrrole-2,4-dicarboxylicacid diethyl ester
Property Insights of 5-(Hydroxymethyl)-3-methyl-1H-pyrrole-2,4-dicarboxylicacid diethyl ester
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(Hydroxymethyl)-3-methyl-1H-pyrrole-2,4-dicarboxylicacid diethyl ester. The TPSA of 88.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(Hydroxymethyl)-3-methyl-1H-pyrrole-2,4-dicarboxylicacid diethyl ester. Following Lipinski's Rule of Five, 5-(Hydroxymethyl)-3-methyl-1H-pyrrole-2,4-dicarboxylicacid diethyl ester has 2 hydrogen bond donor(s) and 5 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 5-(Hydroxymethyl)-3-methyl-1H-pyrrole-2,4-dicarboxylicacid diethyl ester?
The CAS number of 5-(Hydroxymethyl)-3-methyl-1H-pyrrole-2,4-dicarboxylicacid diethyl ester is 5422-89-9.
What is the molecular formula of 5-(Hydroxymethyl)-3-methyl-1H-pyrrole-2,4-dicarboxylicacid diethyl ester?
The molecular formula of 5-(Hydroxymethyl)-3-methyl-1H-pyrrole-2,4-dicarboxylicacid diethyl ester is C12H17NO5.
What is the molecular weight of 5-(Hydroxymethyl)-3-methyl-1H-pyrrole-2,4-dicarboxylicacid diethyl ester?
The molecular weight of 5-(Hydroxymethyl)-3-methyl-1H-pyrrole-2,4-dicarboxylicacid diethyl ester is 255.11 g/mol.
Where can I buy 5-(Hydroxymethyl)-3-methyl-1H-pyrrole-2,4-dicarboxylicacid diethyl ester?
You can request a quote for 5-(Hydroxymethyl)-3-methyl-1H-pyrrole-2,4-dicarboxylicacid diethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(Hydroxymethyl)-3-methyl-1H-pyrrole-2,4-dicarboxylicacid diethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 5-(Hydroxymethyl)-3-methyl-1H-pyrrole-2,4-dicarboxylicacid diethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.