(3,5-bis((thiophen-2-ylmethyl)amino)-1H-1,2,4-triazol-1-yl)(3-nitrophenyl)methanone
TL;DR: (3,5-bis((thiophen-2-ylmethyl)amino)-1H-1,2,4-triazol-1-yl)(3-nitrophenyl)methanone (CAS 767345-87-9) is a chemical compound with molecular formula C19H16N6O3S2 and molecular weight 440.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3,5-bis(thiophen-2-ylmethylamino)-1,2,4-triazol-1-yl]-(3-nitrophenyl)methanone
Also Known As: (3,5-bis((thiophen-2-ylmethyl)amino)-1H-1,2,4-triazol-1-yl)(3-nitrophenyl)methanone, [3,5-bis(thiophen-2-ylmethylamino)-1,2,4-triazol-1-yl]-(3-nitrophenyl)methanone, {3,5-bis[(thiophen-2-ylmethyl)amino]-1H-1,2,4-triazol-1-yl}(3-nitrophenyl)methanone, 1-(3-nitrobenzoyl)-N,N'-bis(2-thienylmethyl)-1H-1,2,4-triazole-3,5-diamine
| Molecular Formula | C19H16N6O3S2 |
|---|---|
| Molecular Weight | 440.07 g/mol |
| LogP | 4.222 |
| Topological Polar Surface Area | 114.98 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 440.07254 |
| Heavy Atoms | 30 |
| Complexity | 1155.1389 |
Chemical Identifiers
| CAS Number | 767345-87-9 |
|---|---|
| SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)N2C(=NC(=N2)NCC3=CC=CS3)NCC4=CC=CS4 |
Product Overview
(3,5-bis((thiophen-2-ylmethyl)amino)-1H-1,2,4-triazol-1-yl)(3-nitrophenyl)methanone (CAS 767345-87-9), with molecular formula C19H16N6O3S2 and molecular weight 440.07 g/mol. IUPAC: [3,5-bis(thiophen-2-ylmethylamino)-1,2,4-triazol-1-yl]-(3-nitrophenyl)methanone.
Chemical Property Profile of (3,5-bis((thiophen-2-ylmethyl)amino)-1H-1,2,4-triazol-1-yl)(3-nitrophenyl)methanone
Property Insights of (3,5-bis((thiophen-2-ylmethyl)amino)-1H-1,2,4-triazol-1-yl)(3-nitrophenyl)methanone
The XLogP value of 4.222 indicates that (3,5-bis((thiophen-2-ylmethyl)amino)-1H-1,2,4-triazol-1-yl)(3-nitrophenyl)methanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 114.98 Ų falls within the moderate polarity range, balancing permeability and solubility for (3,5-bis((thiophen-2-ylmethyl)amino)-1H-1,2,4-triazol-1-yl)(3-nitrophenyl)methanone. Following Lipinski's Rule of Five, (3,5-bis((thiophen-2-ylmethyl)amino)-1H-1,2,4-triazol-1-yl)(3-nitrophenyl)methanone has 2 hydrogen bond donor(s) and 9 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 (3,5-bis((thiophen-2-ylmethyl)amino)-1H-1,2,4-triazol-1-yl)(3-nitrophenyl)methanone?
The CAS number of (3,5-bis((thiophen-2-ylmethyl)amino)-1H-1,2,4-triazol-1-yl)(3-nitrophenyl)methanone is 767345-87-9.
What is the molecular formula of (3,5-bis((thiophen-2-ylmethyl)amino)-1H-1,2,4-triazol-1-yl)(3-nitrophenyl)methanone?
The molecular formula of (3,5-bis((thiophen-2-ylmethyl)amino)-1H-1,2,4-triazol-1-yl)(3-nitrophenyl)methanone is C19H16N6O3S2.
What is the molecular weight of (3,5-bis((thiophen-2-ylmethyl)amino)-1H-1,2,4-triazol-1-yl)(3-nitrophenyl)methanone?
The molecular weight of (3,5-bis((thiophen-2-ylmethyl)amino)-1H-1,2,4-triazol-1-yl)(3-nitrophenyl)methanone is 440.07 g/mol.
Where can I buy (3,5-bis((thiophen-2-ylmethyl)amino)-1H-1,2,4-triazol-1-yl)(3-nitrophenyl)methanone?
You can request a quote for (3,5-bis((thiophen-2-ylmethyl)amino)-1H-1,2,4-triazol-1-yl)(3-nitrophenyl)methanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3,5-bis((thiophen-2-ylmethyl)amino)-1H-1,2,4-triazol-1-yl)(3-nitrophenyl)methanone?
Yes, KEHONG BIO provides custom synthesis services for (3,5-bis((thiophen-2-ylmethyl)amino)-1H-1,2,4-triazol-1-yl)(3-nitrophenyl)methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.