(3,5-Bis(dimethylamino)-1H-1,2,4-triazol-1-yl)(4-methylphenyl)methanone
TL;DR: (3,5-Bis(dimethylamino)-1H-1,2,4-triazol-1-yl)(4-methylphenyl)methanone (CAS 478032-05-2) is a chemical compound with molecular formula C14H19N5O and molecular weight 273.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3,5-bis(dimethylamino)-1,2,4-triazol-1-yl]-(4-methylphenyl)methanone
Also Known As: (3,5-Bis(dimethylamino)-1H-1,2,4-triazol-1-yl)(4-methylphenyl)methanone, 3M-707, [3,5-bis(dimethylamino)-1,2,4-triazol-1-yl]-(4-methylphenyl)methanone, [3,5-bis(dimethylamino)-1H-1,2,4-triazol-1-yl](4-methylphenyl)methanone, N3,N3,N5,N5-tetramethyl-1-(4-methylbenzoyl)-1H-1,2,4-triazole-3,5-diamine
| Molecular Formula | C14H19N5O |
|---|---|
| Molecular Weight | 273.16 g/mol |
| LogP | 1.40702 |
| Topological Polar Surface Area | 54.26 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 273.15897 |
| Heavy Atoms | 20 |
| Complexity | 612.99457 |
Chemical Identifiers
| CAS Number | 478032-05-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)N2C(=NC(=N2)N(C)C)N(C)C |
Product Overview
(3,5-Bis(dimethylamino)-1H-1,2,4-triazol-1-yl)(4-methylphenyl)methanone (CAS 478032-05-2), with molecular formula C14H19N5O and molecular weight 273.16 g/mol. IUPAC: [3,5-bis(dimethylamino)-1,2,4-triazol-1-yl]-(4-methylphenyl)methanone.
Chemical Property Profile of (3,5-Bis(dimethylamino)-1H-1,2,4-triazol-1-yl)(4-methylphenyl)methanone
Property Insights of (3,5-Bis(dimethylamino)-1H-1,2,4-triazol-1-yl)(4-methylphenyl)methanone
The XLogP value of 1.40702 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3,5-Bis(dimethylamino)-1H-1,2,4-triazol-1-yl)(4-methylphenyl)methanone. With a topological polar surface area (TPSA) of 54.26 Ų, (3,5-Bis(dimethylamino)-1H-1,2,4-triazol-1-yl)(4-methylphenyl)methanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3,5-Bis(dimethylamino)-1H-1,2,4-triazol-1-yl)(4-methylphenyl)methanone has 0 hydrogen bond donor(s) and 5 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(dimethylamino)-1H-1,2,4-triazol-1-yl)(4-methylphenyl)methanone?
The CAS number of (3,5-Bis(dimethylamino)-1H-1,2,4-triazol-1-yl)(4-methylphenyl)methanone is 478032-05-2.
What is the molecular formula of (3,5-Bis(dimethylamino)-1H-1,2,4-triazol-1-yl)(4-methylphenyl)methanone?
The molecular formula of (3,5-Bis(dimethylamino)-1H-1,2,4-triazol-1-yl)(4-methylphenyl)methanone is C14H19N5O.
What is the molecular weight of (3,5-Bis(dimethylamino)-1H-1,2,4-triazol-1-yl)(4-methylphenyl)methanone?
The molecular weight of (3,5-Bis(dimethylamino)-1H-1,2,4-triazol-1-yl)(4-methylphenyl)methanone is 273.16 g/mol.
Where can I buy (3,5-Bis(dimethylamino)-1H-1,2,4-triazol-1-yl)(4-methylphenyl)methanone?
You can request a quote for (3,5-Bis(dimethylamino)-1H-1,2,4-triazol-1-yl)(4-methylphenyl)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(dimethylamino)-1H-1,2,4-triazol-1-yl)(4-methylphenyl)methanone?
Yes, KEHONG BIO provides custom synthesis services for (3,5-Bis(dimethylamino)-1H-1,2,4-triazol-1-yl)(4-methylphenyl)methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.