benzyl 5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxylate
TL;DR: benzyl 5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxylate (CAS 37059-18-0) is a chemical compound with molecular formula C15H15NO3 and molecular weight 257.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxylate
Also Known As: benzyl 5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxylate, phenylmethyl 5-formyl-2,4-dimethylpyrrole-3-carboxylate, A1941/0081569, 1H-Pyrrole-3-carboxylic acid, 5-formyl-2,4-dimethyl-, phenylmethyl ester (9CI)
| Molecular Formula | C15H15NO3 |
|---|---|
| Molecular Weight | 257.11 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 59.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 257.1052 |
| Heavy Atoms | 19 |
| Complexity | 325.0 |
Chemical Identifiers
| CAS Number | 37059-18-0 |
|---|---|
| SMILES | CC1=C(NC(=C1C(=O)OCC2=CC=CC=C2)C)C=O |
| InChIKey | QUZUDKKOORVFBU-UHFFFAOYSA-N |
Product Overview
benzyl 5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxylate (CAS 37059-18-0), with molecular formula C15H15NO3 and molecular weight 257.11 g/mol. IUPAC: benzyl 5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxylate.
Chemical Property Profile of benzyl 5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxylate
Property Insights of benzyl 5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxylate
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for benzyl 5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxylate. With a topological polar surface area (TPSA) of 59.2 Ų, benzyl 5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, benzyl 5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxylate has 1 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 5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxylate?
The CAS number of benzyl 5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxylate is 37059-18-0.
What is the molecular formula of benzyl 5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxylate?
The molecular formula of benzyl 5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxylate is C15H15NO3.
What is the molecular weight of benzyl 5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxylate?
The molecular weight of benzyl 5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxylate is 257.11 g/mol.
Where can I buy benzyl 5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxylate?
You can request a quote for benzyl 5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for benzyl 5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for benzyl 5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.