![4-[(1E)-3,3-dimethyltriaz-1-en-1-yl]-N-(propan-2-yl)benzamide structure](/static/products/7010/70100-31-1.webp)
4-[(1E)-3,3-dimethyltriaz-1-en-1-yl]-N-(propan-2-yl)benzamide
TL;DR: 4-[(1E)-3,3-dimethyltriaz-1-en-1-yl]-N-(propan-2-yl)benzamide (CAS 70100-31-1) is a chemical compound with molecular formula C12H18N4O and molecular weight 234.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(dimethylaminodiazenyl)-N-propan-2-ylbenzamide
Also Known As: 4-(dimethylaminodiazenyl)-N-propan-2-ylbenzamide, 4-[(1E)-3,3-dimethyltriaz-1-en-1-yl]-N-(propan-2-yl)benzamide, Benzamide,3-dimethyl-1-triazenyl)-N-(1-methylethyl)-, Benzamide, 4-(3,3-dimethyl-1-triazenyl)-N-(1-methylethyl)-
| Molecular Formula | C12H18N4O |
|---|---|
| Molecular Weight | 234.15 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 57.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 234.14806 |
| Heavy Atoms | 17 |
| Complexity | 268.0 |
Chemical Identifiers
| CAS Number | 70100-31-1 |
|---|---|
| SMILES | CC(C)NC(=O)C1=CC=C(C=C1)N=NN(C)C |
| InChIKey | IBGBKYORPFAEBZ-UHFFFAOYSA-N |
Product Overview
4-[(1E)-3,3-dimethyltriaz-1-en-1-yl]-N-(propan-2-yl)benzamide (CAS 70100-31-1), with molecular formula C12H18N4O and molecular weight 234.15 g/mol. IUPAC: 4-(dimethylaminodiazenyl)-N-propan-2-ylbenzamide.
Chemical Property Profile of 4-[(1E)-3,3-dimethyltriaz-1-en-1-yl]-N-(propan-2-yl)benzamide
Property Insights of 4-[(1E)-3,3-dimethyltriaz-1-en-1-yl]-N-(propan-2-yl)benzamide
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[(1E)-3,3-dimethyltriaz-1-en-1-yl]-N-(propan-2-yl)benzamide. With a topological polar surface area (TPSA) of 57.1 Ų, 4-[(1E)-3,3-dimethyltriaz-1-en-1-yl]-N-(propan-2-yl)benzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-[(1E)-3,3-dimethyltriaz-1-en-1-yl]-N-(propan-2-yl)benzamide has 1 hydrogen bond donor(s) and 4 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 4-[(1E)-3,3-dimethyltriaz-1-en-1-yl]-N-(propan-2-yl)benzamide?
The CAS number of 4-[(1E)-3,3-dimethyltriaz-1-en-1-yl]-N-(propan-2-yl)benzamide is 70100-31-1.
What is the molecular formula of 4-[(1E)-3,3-dimethyltriaz-1-en-1-yl]-N-(propan-2-yl)benzamide?
The molecular formula of 4-[(1E)-3,3-dimethyltriaz-1-en-1-yl]-N-(propan-2-yl)benzamide is C12H18N4O.
What is the molecular weight of 4-[(1E)-3,3-dimethyltriaz-1-en-1-yl]-N-(propan-2-yl)benzamide?
The molecular weight of 4-[(1E)-3,3-dimethyltriaz-1-en-1-yl]-N-(propan-2-yl)benzamide is 234.15 g/mol.
Where can I buy 4-[(1E)-3,3-dimethyltriaz-1-en-1-yl]-N-(propan-2-yl)benzamide?
You can request a quote for 4-[(1E)-3,3-dimethyltriaz-1-en-1-yl]-N-(propan-2-yl)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[(1E)-3,3-dimethyltriaz-1-en-1-yl]-N-(propan-2-yl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 4-[(1E)-3,3-dimethyltriaz-1-en-1-yl]-N-(propan-2-yl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.