Benzyl 3,5-dimethyl-4-(2-hydroxyethyl)-2-pyrrolecarboxylate
TL;DR: Benzyl 3,5-dimethyl-4-(2-hydroxyethyl)-2-pyrrolecarboxylate (CAS 31837-63-5) is a chemical compound with molecular formula C16H19NO3 and molecular weight 273.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 4-(2-hydroxyethyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate
Also Known As: Benzyl 4-(2-hydroxyethyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate, BENZYL 3,5-DIMETHYL-4-(2-HYDROXYETHYL)-2-PYRROLECARBOXYLATE
| Molecular Formula | C16H19NO3 |
|---|---|
| Molecular Weight | 273.14 g/mol |
| LogP | 2.52334 |
| Topological Polar Surface Area | 62.32 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 273.1365 |
| Heavy Atoms | 20 |
| Complexity | 587.2695 |
Chemical Identifiers
| CAS Number | 31837-63-5 |
|---|---|
| SMILES | CC1=C(NC(=C1CCO)C)C(=O)OCC2=CC=CC=C2 |
Product Overview
Benzyl 3,5-dimethyl-4-(2-hydroxyethyl)-2-pyrrolecarboxylate (CAS 31837-63-5), with molecular formula C16H19NO3 and molecular weight 273.14 g/mol. IUPAC: benzyl 4-(2-hydroxyethyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate.
Chemical Property Profile of Benzyl 3,5-dimethyl-4-(2-hydroxyethyl)-2-pyrrolecarboxylate
Property Insights of Benzyl 3,5-dimethyl-4-(2-hydroxyethyl)-2-pyrrolecarboxylate
The XLogP value of 2.52334 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzyl 3,5-dimethyl-4-(2-hydroxyethyl)-2-pyrrolecarboxylate. The TPSA of 62.32 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzyl 3,5-dimethyl-4-(2-hydroxyethyl)-2-pyrrolecarboxylate. Following Lipinski's Rule of Five, Benzyl 3,5-dimethyl-4-(2-hydroxyethyl)-2-pyrrolecarboxylate has 2 hydrogen bond donor(s) and 3 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 Benzyl 3,5-dimethyl-4-(2-hydroxyethyl)-2-pyrrolecarboxylate?
The CAS number of Benzyl 3,5-dimethyl-4-(2-hydroxyethyl)-2-pyrrolecarboxylate is 31837-63-5.
What is the molecular formula of Benzyl 3,5-dimethyl-4-(2-hydroxyethyl)-2-pyrrolecarboxylate?
The molecular formula of Benzyl 3,5-dimethyl-4-(2-hydroxyethyl)-2-pyrrolecarboxylate is C16H19NO3.
What is the molecular weight of Benzyl 3,5-dimethyl-4-(2-hydroxyethyl)-2-pyrrolecarboxylate?
The molecular weight of Benzyl 3,5-dimethyl-4-(2-hydroxyethyl)-2-pyrrolecarboxylate is 273.14 g/mol.
Where can I buy Benzyl 3,5-dimethyl-4-(2-hydroxyethyl)-2-pyrrolecarboxylate?
You can request a quote for Benzyl 3,5-dimethyl-4-(2-hydroxyethyl)-2-pyrrolecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzyl 3,5-dimethyl-4-(2-hydroxyethyl)-2-pyrrolecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Benzyl 3,5-dimethyl-4-(2-hydroxyethyl)-2-pyrrolecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.