N,N-diethyl-3,4,5-trimethyl-1H-pyrrole-2-carboxamide
TL;DR: N,N-diethyl-3,4,5-trimethyl-1H-pyrrole-2-carboxamide (CAS 58803-92-2) is a chemical compound with molecular formula C12H20N2O and molecular weight 208.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-diethyl-3,4,5-trimethyl-1H-pyrrole-2-carboxamide
Also Known As: Maybridge1_001987, N2,N2-diethyl-3,4,5-trimethyl-1H-pyrrole-2-carboxamide, N,N-diethyl-3,4,5-trimethyl-1H-pyrrole-2-carboxamide, BTB 09341, N,N-Diethyl-3,4,5-trimethylpyrrol-2-carboxamid
| Molecular Formula | C12H20N2O |
|---|---|
| Molecular Weight | 208.16 g/mol |
| LogP | 2.42196 |
| Topological Polar Surface Area | 36.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 208.15756 |
| Heavy Atoms | 15 |
| Complexity | 361.94418 |
Chemical Identifiers
| CAS Number | 58803-92-2 |
|---|---|
| SMILES | CCN(CC)C(=O)C1=C(C(=C(N1)C)C)C |
Product Overview
N,N-diethyl-3,4,5-trimethyl-1H-pyrrole-2-carboxamide (CAS 58803-92-2), with molecular formula C12H20N2O and molecular weight 208.16 g/mol. IUPAC: N,N-diethyl-3,4,5-trimethyl-1H-pyrrole-2-carboxamide.
Chemical Property Profile of N,N-diethyl-3,4,5-trimethyl-1H-pyrrole-2-carboxamide
Property Insights of N,N-diethyl-3,4,5-trimethyl-1H-pyrrole-2-carboxamide
The XLogP value of 2.42196 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N,N-diethyl-3,4,5-trimethyl-1H-pyrrole-2-carboxamide. With a topological polar surface area (TPSA) of 36.1 Ų, N,N-diethyl-3,4,5-trimethyl-1H-pyrrole-2-carboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N,N-diethyl-3,4,5-trimethyl-1H-pyrrole-2-carboxamide has 1 hydrogen bond donor(s) and 1 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 N,N-diethyl-3,4,5-trimethyl-1H-pyrrole-2-carboxamide?
The CAS number of N,N-diethyl-3,4,5-trimethyl-1H-pyrrole-2-carboxamide is 58803-92-2.
What is the molecular formula of N,N-diethyl-3,4,5-trimethyl-1H-pyrrole-2-carboxamide?
The molecular formula of N,N-diethyl-3,4,5-trimethyl-1H-pyrrole-2-carboxamide is C12H20N2O.
What is the molecular weight of N,N-diethyl-3,4,5-trimethyl-1H-pyrrole-2-carboxamide?
The molecular weight of N,N-diethyl-3,4,5-trimethyl-1H-pyrrole-2-carboxamide is 208.16 g/mol.
Where can I buy N,N-diethyl-3,4,5-trimethyl-1H-pyrrole-2-carboxamide?
You can request a quote for N,N-diethyl-3,4,5-trimethyl-1H-pyrrole-2-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N,N-diethyl-3,4,5-trimethyl-1H-pyrrole-2-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N,N-diethyl-3,4,5-trimethyl-1H-pyrrole-2-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.