1H-Pyrrole-3,4-dicarboxamide, 1-ethyl-N,N',2-trimethyl-5-(phenylmethyl)-
TL;DR: 1H-Pyrrole-3,4-dicarboxamide, 1-ethyl-N,N',2-trimethyl-5-(phenylmethyl)- (CAS 162152-04-7) is a chemical compound with molecular formula C18H23N3O2 and molecular weight 313.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzyl-1-ethyl-3-N,4-N,5-trimethylpyrrole-3,4-dicarboxamide
Also Known As: Pyrrole-3,4-diCOOH analog, 1H-Pyrrole-3,4-dicarboxamide, 1-ethyl-N,N',2-trimethyl-5-(phenylmethyl)-, 2-benzyl-1-ethyl-N3,N4,5-trimethyl-pyrrole-3,4-dicarboxamide, 2-benzyl-1-ethyl-3-N,4-N,5-trimethylpyrrole-3,4-dicarboxamide, 2-Benzyl-1-ethyl-N,N ,5-trimethyl-1H-pyrrole-3,4-dicarboxamide
| Molecular Formula | C18H23N3O2 |
|---|---|
| Molecular Weight | 313.18 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 63.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 313.17902 |
| Heavy Atoms | 23 |
| Complexity | 420.0 |
Chemical Identifiers
| CAS Number | 162152-04-7 |
|---|---|
| SMILES | CCN1C(=C(C(=C1CC2=CC=CC=C2)C(=O)NC)C(=O)NC)C |
| InChIKey | WPGQYVBZCMEASJ-UHFFFAOYSA-N |
Product Overview
1H-Pyrrole-3,4-dicarboxamide, 1-ethyl-N,N',2-trimethyl-5-(phenylmethyl)- (CAS 162152-04-7), with molecular formula C18H23N3O2 and molecular weight 313.18 g/mol. IUPAC: 2-benzyl-1-ethyl-3-N,4-N,5-trimethylpyrrole-3,4-dicarboxamide.
Chemical Property Profile of 1H-Pyrrole-3,4-dicarboxamide, 1-ethyl-N,N',2-trimethyl-5-(phenylmethyl)-
Property Insights of 1H-Pyrrole-3,4-dicarboxamide, 1-ethyl-N,N',2-trimethyl-5-(phenylmethyl)-
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Pyrrole-3,4-dicarboxamide, 1-ethyl-N,N',2-trimethyl-5-(phenylmethyl)-. The TPSA of 63.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-Pyrrole-3,4-dicarboxamide, 1-ethyl-N,N',2-trimethyl-5-(phenylmethyl)-. Following Lipinski's Rule of Five, 1H-Pyrrole-3,4-dicarboxamide, 1-ethyl-N,N',2-trimethyl-5-(phenylmethyl)- 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 1H-Pyrrole-3,4-dicarboxamide, 1-ethyl-N,N',2-trimethyl-5-(phenylmethyl)-?
The CAS number of 1H-Pyrrole-3,4-dicarboxamide, 1-ethyl-N,N',2-trimethyl-5-(phenylmethyl)- is 162152-04-7.
What is the molecular formula of 1H-Pyrrole-3,4-dicarboxamide, 1-ethyl-N,N',2-trimethyl-5-(phenylmethyl)-?
The molecular formula of 1H-Pyrrole-3,4-dicarboxamide, 1-ethyl-N,N',2-trimethyl-5-(phenylmethyl)- is C18H23N3O2.
What is the molecular weight of 1H-Pyrrole-3,4-dicarboxamide, 1-ethyl-N,N',2-trimethyl-5-(phenylmethyl)-?
The molecular weight of 1H-Pyrrole-3,4-dicarboxamide, 1-ethyl-N,N',2-trimethyl-5-(phenylmethyl)- is 313.18 g/mol.
Where can I buy 1H-Pyrrole-3,4-dicarboxamide, 1-ethyl-N,N',2-trimethyl-5-(phenylmethyl)-?
You can request a quote for 1H-Pyrrole-3,4-dicarboxamide, 1-ethyl-N,N',2-trimethyl-5-(phenylmethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Pyrrole-3,4-dicarboxamide, 1-ethyl-N,N',2-trimethyl-5-(phenylmethyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1H-Pyrrole-3,4-dicarboxamide, 1-ethyl-N,N',2-trimethyl-5-(phenylmethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.