(1-methylpiperidin-4-yl) 2,4,5-trimethyl-1H-pyrrole-3-carbox
TL;DR: (1-methylpiperidin-4-yl) 2,4,5-trimethyl-1H-pyrrole-3-carbox (CAS 62967-22-0) is a chemical compound with molecular formula C16H23F3N2O4 and molecular weight 364.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1-methylpiperidin-4-yl) 2,4,5-trimethyl-1H-pyrrole-3-carboxylate;2,2,2-trifluoroacetic acid
Also Known As: (1-methylpiperidin-4-yl) 2,4,5-trimethyl-1H-pyrrole-3-carbox, (1-methylpiperidin-4-yl) 2,4,5-trimethyl-1H-pyrrole-3-carboxylate; 2,2,2-trifluoroacetic acid, (1-methylpiperidin-4-yl) 2,4,5-trimethyl-1H-pyrrole-3-carboxylate;2,2,2-trifluoroacetic acid, Trifluoroacetic acid--1-methylpiperidin-4-yl 2,4,5-trimethyl-1H-pyrrole-3-carboxylate (1/1)
| Molecular Formula | C16H23F3N2O4 |
|---|---|
| Molecular Weight | 364.16 g/mol |
| LogP | 2.82426 |
| Topological Polar Surface Area | 82.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 364.16098 |
| Heavy Atoms | 25 |
| Complexity | 384.0 |
Chemical Identifiers
| CAS Number | 62967-22-0 |
|---|---|
| SMILES | CC1=C(NC(=C1C(=O)OC2CCN(CC2)C)C)C.C(=O)(C(F)(F)F)O |
| InChIKey | PNKORAOIKCUKMU-UHFFFAOYSA-N |
Product Overview
(1-methylpiperidin-4-yl) 2,4,5-trimethyl-1H-pyrrole-3-carbox (CAS 62967-22-0), with molecular formula C16H23F3N2O4 and molecular weight 364.16 g/mol. IUPAC: (1-methylpiperidin-4-yl) 2,4,5-trimethyl-1H-pyrrole-3-carboxylate;2,2,2-trifluoroacetic acid.
Chemical Property Profile of (1-methylpiperidin-4-yl) 2,4,5-trimethyl-1H-pyrrole-3-carbox
Property Insights of (1-methylpiperidin-4-yl) 2,4,5-trimethyl-1H-pyrrole-3-carbox
The XLogP value of 2.82426 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (1-methylpiperidin-4-yl) 2,4,5-trimethyl-1H-pyrrole-3-carbox. The TPSA of 82.6 Ų falls within the moderate polarity range, balancing permeability and solubility for (1-methylpiperidin-4-yl) 2,4,5-trimethyl-1H-pyrrole-3-carbox. Following Lipinski's Rule of Five, (1-methylpiperidin-4-yl) 2,4,5-trimethyl-1H-pyrrole-3-carbox has 2 hydrogen bond donor(s) and 8 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 (1-methylpiperidin-4-yl) 2,4,5-trimethyl-1H-pyrrole-3-carbox?
The CAS number of (1-methylpiperidin-4-yl) 2,4,5-trimethyl-1H-pyrrole-3-carbox is 62967-22-0.
What is the molecular formula of (1-methylpiperidin-4-yl) 2,4,5-trimethyl-1H-pyrrole-3-carbox?
The molecular formula of (1-methylpiperidin-4-yl) 2,4,5-trimethyl-1H-pyrrole-3-carbox is C16H23F3N2O4.
What is the molecular weight of (1-methylpiperidin-4-yl) 2,4,5-trimethyl-1H-pyrrole-3-carbox?
The molecular weight of (1-methylpiperidin-4-yl) 2,4,5-trimethyl-1H-pyrrole-3-carbox is 364.16 g/mol.
Where can I buy (1-methylpiperidin-4-yl) 2,4,5-trimethyl-1H-pyrrole-3-carbox?
You can request a quote for (1-methylpiperidin-4-yl) 2,4,5-trimethyl-1H-pyrrole-3-carbox directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1-methylpiperidin-4-yl) 2,4,5-trimethyl-1H-pyrrole-3-carbox?
Yes, KEHONG BIO provides custom synthesis services for (1-methylpiperidin-4-yl) 2,4,5-trimethyl-1H-pyrrole-3-carbox and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.