Benzyl 3,5-dimethyl-1H-pyrrole-2-carboxylate
TL;DR: Benzyl 3,5-dimethyl-1H-pyrrole-2-carboxylate (CAS 40236-19-9) is a chemical compound with molecular formula C14H15NO2 and molecular weight 229.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 3,5-dimethyl-1H-pyrrole-2-carboxylate
Also Known As: Benzyl 3,5-dimethylpyrrole-2-carboxylate, Benzyl 3,5-dimethyl-1H-pyrrole-2-carboxylate, Benzyl3,5-dimethylpyrrole-2-carboxylate, I14-2752, 5-(Benzyloxycarbonyl)-2,4-dimethyl-1H-pyrrole
| Molecular Formula | C14H15NO2 |
|---|---|
| Molecular Weight | 229.11 g/mol |
| LogP | 2.98854 |
| Topological Polar Surface Area | 42.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 229.11028 |
| Heavy Atoms | 17 |
| Complexity | 514.27344 |
Chemical Identifiers
| CAS Number | 40236-19-9 |
|---|---|
| SMILES | CC1=CC(=C(N1)C(=O)OCC2=CC=CC=C2)C |
Product Overview
Benzyl 3,5-dimethyl-1H-pyrrole-2-carboxylate (CAS 40236-19-9), with molecular formula C14H15NO2 and molecular weight 229.11 g/mol. IUPAC: benzyl 3,5-dimethyl-1H-pyrrole-2-carboxylate.
Chemical Property Profile of Benzyl 3,5-dimethyl-1H-pyrrole-2-carboxylate
Property Insights of Benzyl 3,5-dimethyl-1H-pyrrole-2-carboxylate
The XLogP value of 2.98854 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzyl 3,5-dimethyl-1H-pyrrole-2-carboxylate. With a topological polar surface area (TPSA) of 42.09 Ų, Benzyl 3,5-dimethyl-1H-pyrrole-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzyl 3,5-dimethyl-1H-pyrrole-2-carboxylate has 1 hydrogen bond donor(s) and 2 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-1H-pyrrole-2-carboxylate?
The CAS number of Benzyl 3,5-dimethyl-1H-pyrrole-2-carboxylate is 40236-19-9.
What is the molecular formula of Benzyl 3,5-dimethyl-1H-pyrrole-2-carboxylate?
The molecular formula of Benzyl 3,5-dimethyl-1H-pyrrole-2-carboxylate is C14H15NO2.
What is the molecular weight of Benzyl 3,5-dimethyl-1H-pyrrole-2-carboxylate?
The molecular weight of Benzyl 3,5-dimethyl-1H-pyrrole-2-carboxylate is 229.11 g/mol.
Where can I buy Benzyl 3,5-dimethyl-1H-pyrrole-2-carboxylate?
You can request a quote for Benzyl 3,5-dimethyl-1H-pyrrole-2-carboxylate 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-1H-pyrrole-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Benzyl 3,5-dimethyl-1H-pyrrole-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.