![[3,5-Bis(dimethylamino)-1,2,4-triazol-1-yl]-(4-chlorophenyl)methanone structure](/static/products/4778/477873-11-3.webp)
[3,5-Bis(dimethylamino)-1,2,4-triazol-1-yl]-(4-chlorophenyl)methanone
TL;DR: [3,5-Bis(dimethylamino)-1,2,4-triazol-1-yl]-(4-chlorophenyl)methanone (CAS 477873-11-3) is a chemical compound with molecular formula C13H16ClN5O and molecular weight 293.10 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-chlorophenyl)methanone
Also Known As: (3,5-Bis(dimethylamino)-1H-1,2,4-triazol-1-yl)(4-chlorophenyl)methanone, [3,5-bis(dimethylamino)-1,2,4-triazol-1-yl]-(4-chlorophenyl)methanone, [3,5-bis(dimethylamino)-1H-1,2,4-triazol-1-yl](4-chlorophenyl)methanone, 2J-044, 1-(4-chlorobenzoyl)-N3,N3,N5,N5-tetramethyl-1H-1,2,4-triazole-3,5-diamine
| Molecular Formula | C13H16ClN5O |
|---|---|
| Molecular Weight | 293.10 g/mol |
| LogP | 1.752 |
| Topological Polar Surface Area | 54.26 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 293.10434 |
| Heavy Atoms | 20 |
| Complexity | 618.1918 |
Chemical Identifiers
| CAS Number | 477873-11-3 |
|---|---|
| SMILES | CN(C)C1=NN(C(=N1)N(C)C)C(=O)C2=CC=C(C=C2)Cl |
Product Overview
[3,5-Bis(dimethylamino)-1,2,4-triazol-1-yl]-(4-chlorophenyl)methanone (CAS 477873-11-3), with molecular formula C13H16ClN5O and molecular weight 293.10 g/mol. IUPAC: [3,5-bis(dimethylamino)-1,2,4-triazol-1-yl]-(4-chlorophenyl)methanone.
Chemical Property Profile of [3,5-Bis(dimethylamino)-1,2,4-triazol-1-yl]-(4-chlorophenyl)methanone
Property Insights of [3,5-Bis(dimethylamino)-1,2,4-triazol-1-yl]-(4-chlorophenyl)methanone
The XLogP value of 1.752 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [3,5-Bis(dimethylamino)-1,2,4-triazol-1-yl]-(4-chlorophenyl)methanone. With a topological polar surface area (TPSA) of 54.26 Ų, [3,5-Bis(dimethylamino)-1,2,4-triazol-1-yl]-(4-chlorophenyl)methanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, [3,5-Bis(dimethylamino)-1,2,4-triazol-1-yl]-(4-chlorophenyl)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)-1,2,4-triazol-1-yl]-(4-chlorophenyl)methanone?
The CAS number of [3,5-Bis(dimethylamino)-1,2,4-triazol-1-yl]-(4-chlorophenyl)methanone is 477873-11-3.
What is the molecular formula of [3,5-Bis(dimethylamino)-1,2,4-triazol-1-yl]-(4-chlorophenyl)methanone?
The molecular formula of [3,5-Bis(dimethylamino)-1,2,4-triazol-1-yl]-(4-chlorophenyl)methanone is C13H16ClN5O.
What is the molecular weight of [3,5-Bis(dimethylamino)-1,2,4-triazol-1-yl]-(4-chlorophenyl)methanone?
The molecular weight of [3,5-Bis(dimethylamino)-1,2,4-triazol-1-yl]-(4-chlorophenyl)methanone is 293.10 g/mol.
Where can I buy [3,5-Bis(dimethylamino)-1,2,4-triazol-1-yl]-(4-chlorophenyl)methanone?
You can request a quote for [3,5-Bis(dimethylamino)-1,2,4-triazol-1-yl]-(4-chlorophenyl)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)-1,2,4-triazol-1-yl]-(4-chlorophenyl)methanone?
Yes, KEHONG BIO provides custom synthesis services for [3,5-Bis(dimethylamino)-1,2,4-triazol-1-yl]-(4-chlorophenyl)methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.