Pyrrole-2-carboxamide, 4-acetyl-N-benzyl-3,5-dimethyl-
TL;DR: Pyrrole-2-carboxamide, 4-acetyl-N-benzyl-3,5-dimethyl- (CAS 5473-15-4) is a chemical compound with molecular formula C16H18N2O2 and molecular weight 270.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-acetyl-N-benzyl-3,5-dimethyl-1H-pyrrole-2-carboxamide
Also Known As: 4-acetyl-n-benzyl-3,5-dimethyl-1h-pyrrole-2-carboxamide, 4-Acetyl-N-benzyl-3,5-dimethyl-pyrrole-2-carboxamide, Pyrrole-2-carboxamide, 4-acetyl-N-benzyl-3,5-dimethyl-, 5-22-06-00173 (Beilstein Handbook Reference), (4-acetyl-3,5-dimethylpyrrol-2-yl)-N-benzylcarboxamide
| Molecular Formula | C16H18N2O2 |
|---|---|
| Molecular Weight | 270.14 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 62.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 270.13684 |
| Heavy Atoms | 20 |
| Complexity | 363.0 |
Chemical Identifiers
| CAS Number | 5473-15-4 |
|---|---|
| SMILES | CC1=C(NC(=C1C(=O)C)C)C(=O)NCC2=CC=CC=C2 |
| InChIKey | NCKJEVKMSGMNOF-UHFFFAOYSA-N |
Product Overview
Pyrrole-2-carboxamide, 4-acetyl-N-benzyl-3,5-dimethyl- (CAS 5473-15-4), with molecular formula C16H18N2O2 and molecular weight 270.14 g/mol. IUPAC: 4-acetyl-N-benzyl-3,5-dimethyl-1H-pyrrole-2-carboxamide.
Chemical Property Profile of Pyrrole-2-carboxamide, 4-acetyl-N-benzyl-3,5-dimethyl-
Property Insights of Pyrrole-2-carboxamide, 4-acetyl-N-benzyl-3,5-dimethyl-
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pyrrole-2-carboxamide, 4-acetyl-N-benzyl-3,5-dimethyl-. The TPSA of 62.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Pyrrole-2-carboxamide, 4-acetyl-N-benzyl-3,5-dimethyl-. Following Lipinski's Rule of Five, Pyrrole-2-carboxamide, 4-acetyl-N-benzyl-3,5-dimethyl- has 2 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 Pyrrole-2-carboxamide, 4-acetyl-N-benzyl-3,5-dimethyl-?
The CAS number of Pyrrole-2-carboxamide, 4-acetyl-N-benzyl-3,5-dimethyl- is 5473-15-4.
What is the molecular formula of Pyrrole-2-carboxamide, 4-acetyl-N-benzyl-3,5-dimethyl-?
The molecular formula of Pyrrole-2-carboxamide, 4-acetyl-N-benzyl-3,5-dimethyl- is C16H18N2O2.
What is the molecular weight of Pyrrole-2-carboxamide, 4-acetyl-N-benzyl-3,5-dimethyl-?
The molecular weight of Pyrrole-2-carboxamide, 4-acetyl-N-benzyl-3,5-dimethyl- is 270.14 g/mol.
Where can I buy Pyrrole-2-carboxamide, 4-acetyl-N-benzyl-3,5-dimethyl-?
You can request a quote for Pyrrole-2-carboxamide, 4-acetyl-N-benzyl-3,5-dimethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyrrole-2-carboxamide, 4-acetyl-N-benzyl-3,5-dimethyl-?
Yes, KEHONG BIO provides custom synthesis services for Pyrrole-2-carboxamide, 4-acetyl-N-benzyl-3,5-dimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.