1-(3-phenylpropanoyl)-3-(3-pyridinyl)-N-(2-thienylmethyl)-1H-1,2,4-triazol-5-amine
TL;DR: 1-(3-phenylpropanoyl)-3-(3-pyridinyl)-N-(2-thienylmethyl)-1H-1,2,4-triazol-5-amine (CAS 835899-01-9) is a chemical compound with molecular formula C21H19N5OS and molecular weight 389.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-phenyl-1-[3-pyridin-3-yl-5-(thiophen-2-ylmethylamino)-1,2,4-triazol-1-yl]propan-1-one
Also Known As: 1-(3-phenylpropanoyl)-3-(3-pyridinyl)-N-(2-thienylmethyl)-1H-1,2,4-triazol-5-amine, 3-phenyl-1-[3-pyridin-3-yl-5-(thiophen-2-ylmethylamino)-1,2,4-triazol-1-yl]propan-1-one, 3-phenyl-1-(3-(pyridin-3-yl)-5-((thiophen-2-ylmethyl)amino)-1H-1,2,4-triazol-1-yl)propan-1-one, 3-PHENYL-1-[3-(PYRIDIN-3-YL)-5-{[(THIOPHEN-2-YL)METHYL]AMINO}-1H-1,2,4-TRIAZOL-1-YL]PROPAN-1-ONE, 3-phenyl-1-{3-(pyridin-3-yl)-5-[(thiophen-2-ylmethyl)amino]-1H-1,2,4-triazol-1-yl}propan-1-one
| Molecular Formula | C21H19N5OS |
|---|---|
| Molecular Weight | 389.13 g/mol |
| LogP | 4.2867 |
| Topological Polar Surface Area | 72.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 389.13104 |
| Heavy Atoms | 28 |
| Complexity | 1029.3752 |
Chemical Identifiers
| CAS Number | 835899-01-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)CCC(=O)N2C(=NC(=N2)C3=CN=CC=C3)NCC4=CC=CS4 |
Product Overview
1-(3-phenylpropanoyl)-3-(3-pyridinyl)-N-(2-thienylmethyl)-1H-1,2,4-triazol-5-amine (CAS 835899-01-9), with molecular formula C21H19N5OS and molecular weight 389.13 g/mol. IUPAC: 3-phenyl-1-[3-pyridin-3-yl-5-(thiophen-2-ylmethylamino)-1,2,4-triazol-1-yl]propan-1-one.
Chemical Property Profile of 1-(3-phenylpropanoyl)-3-(3-pyridinyl)-N-(2-thienylmethyl)-1H-1,2,4-triazol-5-amine
Property Insights of 1-(3-phenylpropanoyl)-3-(3-pyridinyl)-N-(2-thienylmethyl)-1H-1,2,4-triazol-5-amine
The XLogP value of 4.2867 indicates that 1-(3-phenylpropanoyl)-3-(3-pyridinyl)-N-(2-thienylmethyl)-1H-1,2,4-triazol-5-amine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(3-phenylpropanoyl)-3-(3-pyridinyl)-N-(2-thienylmethyl)-1H-1,2,4-triazol-5-amine. Following Lipinski's Rule of Five, 1-(3-phenylpropanoyl)-3-(3-pyridinyl)-N-(2-thienylmethyl)-1H-1,2,4-triazol-5-amine has 1 hydrogen bond donor(s) and 6 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-(3-phenylpropanoyl)-3-(3-pyridinyl)-N-(2-thienylmethyl)-1H-1,2,4-triazol-5-amine?
The CAS number of 1-(3-phenylpropanoyl)-3-(3-pyridinyl)-N-(2-thienylmethyl)-1H-1,2,4-triazol-5-amine is 835899-01-9.
What is the molecular formula of 1-(3-phenylpropanoyl)-3-(3-pyridinyl)-N-(2-thienylmethyl)-1H-1,2,4-triazol-5-amine?
The molecular formula of 1-(3-phenylpropanoyl)-3-(3-pyridinyl)-N-(2-thienylmethyl)-1H-1,2,4-triazol-5-amine is C21H19N5OS.
What is the molecular weight of 1-(3-phenylpropanoyl)-3-(3-pyridinyl)-N-(2-thienylmethyl)-1H-1,2,4-triazol-5-amine?
The molecular weight of 1-(3-phenylpropanoyl)-3-(3-pyridinyl)-N-(2-thienylmethyl)-1H-1,2,4-triazol-5-amine is 389.13 g/mol.
Where can I buy 1-(3-phenylpropanoyl)-3-(3-pyridinyl)-N-(2-thienylmethyl)-1H-1,2,4-triazol-5-amine?
You can request a quote for 1-(3-phenylpropanoyl)-3-(3-pyridinyl)-N-(2-thienylmethyl)-1H-1,2,4-triazol-5-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3-phenylpropanoyl)-3-(3-pyridinyl)-N-(2-thienylmethyl)-1H-1,2,4-triazol-5-amine?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-phenylpropanoyl)-3-(3-pyridinyl)-N-(2-thienylmethyl)-1H-1,2,4-triazol-5-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.