Benzyl 5-acetoxymethyl-3,4-dimethyl-2-pyrrolecarboxylate
TL;DR: Benzyl 5-acetoxymethyl-3,4-dimethyl-2-pyrrolecarboxylate (CAS 65038-94-0) is a chemical compound with molecular formula C17H19NO4 and molecular weight 301.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 5-(acetyloxymethyl)-3,4-dimethyl-1H-pyrrole-2-carboxylate
Also Known As: J1.942.670J, BENZYL 5-ACETOXYMETHYL-3,4-DIMETHYL-2-PYRROLECARBOXYLATE, Benzyl 5-(acetyloxymethyl)-3,4-dimethyl-1H-pyrrole-2-carboxylate, benzyl 5-[(acetyloxy)methyl]-3,4-dimethyl-1H-pyrrole-2-carboxylate, Phenylmethyl 5-[(acetyloxy)methyl]-3,4-dimethyl-1H-pyrrole-2-carboxylate
| Molecular Formula | C17H19NO4 |
|---|---|
| Molecular Weight | 301.13 g/mol |
| LogP | 3.05164 |
| Topological Polar Surface Area | 68.39 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 301.1314 |
| Heavy Atoms | 22 |
| Complexity | 673.4674 |
Chemical Identifiers
| CAS Number | 65038-94-0 |
|---|---|
| SMILES | CC1=C(NC(=C1C)C(=O)OCC2=CC=CC=C2)COC(=O)C |
Product Overview
Benzyl 5-acetoxymethyl-3,4-dimethyl-2-pyrrolecarboxylate (CAS 65038-94-0), with molecular formula C17H19NO4 and molecular weight 301.13 g/mol. IUPAC: benzyl 5-(acetyloxymethyl)-3,4-dimethyl-1H-pyrrole-2-carboxylate.
Chemical Property Profile of Benzyl 5-acetoxymethyl-3,4-dimethyl-2-pyrrolecarboxylate
Property Insights of Benzyl 5-acetoxymethyl-3,4-dimethyl-2-pyrrolecarboxylate
The XLogP value of 3.05164 indicates that Benzyl 5-acetoxymethyl-3,4-dimethyl-2-pyrrolecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.39 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzyl 5-acetoxymethyl-3,4-dimethyl-2-pyrrolecarboxylate. Following Lipinski's Rule of Five, Benzyl 5-acetoxymethyl-3,4-dimethyl-2-pyrrolecarboxylate 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 Benzyl 5-acetoxymethyl-3,4-dimethyl-2-pyrrolecarboxylate?
The CAS number of Benzyl 5-acetoxymethyl-3,4-dimethyl-2-pyrrolecarboxylate is 65038-94-0.
What is the molecular formula of Benzyl 5-acetoxymethyl-3,4-dimethyl-2-pyrrolecarboxylate?
The molecular formula of Benzyl 5-acetoxymethyl-3,4-dimethyl-2-pyrrolecarboxylate is C17H19NO4.
What is the molecular weight of Benzyl 5-acetoxymethyl-3,4-dimethyl-2-pyrrolecarboxylate?
The molecular weight of Benzyl 5-acetoxymethyl-3,4-dimethyl-2-pyrrolecarboxylate is 301.13 g/mol.
Where can I buy Benzyl 5-acetoxymethyl-3,4-dimethyl-2-pyrrolecarboxylate?
You can request a quote for Benzyl 5-acetoxymethyl-3,4-dimethyl-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 5-acetoxymethyl-3,4-dimethyl-2-pyrrolecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Benzyl 5-acetoxymethyl-3,4-dimethyl-2-pyrrolecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.