1-Methyl-5-((3-(3-(1-piperidinylmethyl)phenoxy)propyl)amino)-1H-1,2,4-triazole-3-carboxylic acid
TL;DR: 1-Methyl-5-((3-(3-(1-piperidinylmethyl)phenoxy)propyl)amino)-1H-1,2,4-triazole-3-carboxylic acid (CAS 80343-52-8) is a chemical compound with molecular formula C19H27N5O3 and molecular weight 373.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-5-[3-[3-(piperidin-1-ylmethyl)phenoxy]propylamino]-1,2,4-triazole-3-carboxylic acid
Also Known As: 1-Methyl-5-((3-(3-(1-piperidinylmethyl)phenoxy)propyl)amino)-1H-1,2,4-triazole-3-carboxylic acid, 1h-1,2,4-triazole-3-carboxylicacid,1-methyl-5-((3-(3-, 1H-1,2,4-Triazole-3-carboxylicacid,1-methyl-5-((3-(3- -, 1-methyl-5-[3-[3-(piperidin-1-ylmethyl)phenoxy]propylamino]-1,2,4-triazole-3-carboxylic acid, 1H-1,2,4-Triazole-3-carboxylic acid, 1-methyl-5-((3-(3-(1-piperidinylmethyl)phenoxy)propyl)amino)-
| Molecular Formula | C19H27N5O3 |
|---|---|
| Molecular Weight | 373.21 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 92.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 373.2114 |
| Heavy Atoms | 27 |
| Complexity | 461.0 |
Chemical Identifiers
| CAS Number | 80343-52-8 |
|---|---|
| SMILES | CN1C(=NC(=N1)C(=O)O)NCCCOC2=CC=CC(=C2)CN3CCCCC3 |
| InChIKey | FVXKKIQNOGUXPY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Methyl-5-((3-(3-(1-piperidinylmethyl)phenoxy)propyl)amino)-1H-1,2,4-triazole-3-carboxylic acid (CAS 80343-52-8), with molecular formula C19H27N5O3 and molecular weight 373.21 g/mol. IUPAC: 1-methyl-5-[3-[3-(piperidin-1-ylmethyl)phenoxy]propylamino]-1,2,4-triazole-3-carboxylic acid.
Chemical Property Profile of 1-Methyl-5-((3-(3-(1-piperidinylmethyl)phenoxy)propyl)amino)-1H-1,2,4-triazole-3-carboxylic acid
Property Insights of 1-Methyl-5-((3-(3-(1-piperidinylmethyl)phenoxy)propyl)amino)-1H-1,2,4-triazole-3-carboxylic acid
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Methyl-5-((3-(3-(1-piperidinylmethyl)phenoxy)propyl)amino)-1H-1,2,4-triazole-3-carboxylic acid. The TPSA of 92.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Methyl-5-((3-(3-(1-piperidinylmethyl)phenoxy)propyl)amino)-1H-1,2,4-triazole-3-carboxylic acid. Following Lipinski's Rule of Five, 1-Methyl-5-((3-(3-(1-piperidinylmethyl)phenoxy)propyl)amino)-1H-1,2,4-triazole-3-carboxylic acid has 2 hydrogen bond donor(s) and 7 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-Methyl-5-((3-(3-(1-piperidinylmethyl)phenoxy)propyl)amino)-1H-1,2,4-triazole-3-carboxylic acid?
The CAS number of 1-Methyl-5-((3-(3-(1-piperidinylmethyl)phenoxy)propyl)amino)-1H-1,2,4-triazole-3-carboxylic acid is 80343-52-8.
What is the molecular formula of 1-Methyl-5-((3-(3-(1-piperidinylmethyl)phenoxy)propyl)amino)-1H-1,2,4-triazole-3-carboxylic acid?
The molecular formula of 1-Methyl-5-((3-(3-(1-piperidinylmethyl)phenoxy)propyl)amino)-1H-1,2,4-triazole-3-carboxylic acid is C19H27N5O3.
What is the molecular weight of 1-Methyl-5-((3-(3-(1-piperidinylmethyl)phenoxy)propyl)amino)-1H-1,2,4-triazole-3-carboxylic acid?
The molecular weight of 1-Methyl-5-((3-(3-(1-piperidinylmethyl)phenoxy)propyl)amino)-1H-1,2,4-triazole-3-carboxylic acid is 373.21 g/mol.
Where can I buy 1-Methyl-5-((3-(3-(1-piperidinylmethyl)phenoxy)propyl)amino)-1H-1,2,4-triazole-3-carboxylic acid?
You can request a quote for 1-Methyl-5-((3-(3-(1-piperidinylmethyl)phenoxy)propyl)amino)-1H-1,2,4-triazole-3-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Methyl-5-((3-(3-(1-piperidinylmethyl)phenoxy)propyl)amino)-1H-1,2,4-triazole-3-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 1-Methyl-5-((3-(3-(1-piperidinylmethyl)phenoxy)propyl)amino)-1H-1,2,4-triazole-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.