![2,4-Dimethyl-N-((6,7,8,9-tetrahydro-5h-[1,2,4]triazolo[4,3-a]azepin-3-yl)methyl)aniline structure](/static/products/3258/325833-91-8.webp)
2,4-Dimethyl-N-((6,7,8,9-tetrahydro-5h-[1,2,4]triazolo[4,3-a]azepin-3-yl)methyl)aniline
TL;DR: 2,4-Dimethyl-N-((6,7,8,9-tetrahydro-5h-[1,2,4]triazolo[4,3-a]azepin-3-yl)methyl)aniline (CAS 325833-91-8) is a chemical compound with molecular formula C16H22N4 and molecular weight 270.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4-dimethyl-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)aniline
Also Known As: 2,4-Dimethyl-N-((6,7,8,9-tetrahydro-5h-[1,2,4]triazolo[4,3-a]azepin-3-yl)methyl)aniline, (2,4-Dimethyl-phenyl)-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)-amine, 2,4-dimethyl-N-({5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-3-yl}methyl)aniline, 2,4-dimethyl-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)aniline, (2,4-dimethylphenyl)(5H,6H,7H,8H,9H-1,2,4-triazolo[4,5-a]azaperhydroepin-3-ylm ethyl)amine
| Molecular Formula | C16H22N4 |
|---|---|
| Molecular Weight | 270.18 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 42.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 270.18445 |
| Heavy Atoms | 20 |
| Complexity | 309.0 |
Chemical Identifiers
| CAS Number | 325833-91-8 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)NCC2=NN=C3N2CCCCC3)C |
| InChIKey | BLAXMAWNVJIGDP-UHFFFAOYSA-N |
Product Overview
2,4-Dimethyl-N-((6,7,8,9-tetrahydro-5h-[1,2,4]triazolo[4,3-a]azepin-3-yl)methyl)aniline (CAS 325833-91-8), with molecular formula C16H22N4 and molecular weight 270.18 g/mol. IUPAC: 2,4-dimethyl-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)aniline.
Chemical Property Profile of 2,4-Dimethyl-N-((6,7,8,9-tetrahydro-5h-[1,2,4]triazolo[4,3-a]azepin-3-yl)methyl)aniline
Property Insights of 2,4-Dimethyl-N-((6,7,8,9-tetrahydro-5h-[1,2,4]triazolo[4,3-a]azepin-3-yl)methyl)aniline
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4-Dimethyl-N-((6,7,8,9-tetrahydro-5h-[1,2,4]triazolo[4,3-a]azepin-3-yl)methyl)aniline. With a topological polar surface area (TPSA) of 42.7 Ų, 2,4-Dimethyl-N-((6,7,8,9-tetrahydro-5h-[1,2,4]triazolo[4,3-a]azepin-3-yl)methyl)aniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4-Dimethyl-N-((6,7,8,9-tetrahydro-5h-[1,2,4]triazolo[4,3-a]azepin-3-yl)methyl)aniline has 1 hydrogen bond donor(s) and 3 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 2,4-Dimethyl-N-((6,7,8,9-tetrahydro-5h-[1,2,4]triazolo[4,3-a]azepin-3-yl)methyl)aniline?
The CAS number of 2,4-Dimethyl-N-((6,7,8,9-tetrahydro-5h-[1,2,4]triazolo[4,3-a]azepin-3-yl)methyl)aniline is 325833-91-8.
What is the molecular formula of 2,4-Dimethyl-N-((6,7,8,9-tetrahydro-5h-[1,2,4]triazolo[4,3-a]azepin-3-yl)methyl)aniline?
The molecular formula of 2,4-Dimethyl-N-((6,7,8,9-tetrahydro-5h-[1,2,4]triazolo[4,3-a]azepin-3-yl)methyl)aniline is C16H22N4.
What is the molecular weight of 2,4-Dimethyl-N-((6,7,8,9-tetrahydro-5h-[1,2,4]triazolo[4,3-a]azepin-3-yl)methyl)aniline?
The molecular weight of 2,4-Dimethyl-N-((6,7,8,9-tetrahydro-5h-[1,2,4]triazolo[4,3-a]azepin-3-yl)methyl)aniline is 270.18 g/mol.
Where can I buy 2,4-Dimethyl-N-((6,7,8,9-tetrahydro-5h-[1,2,4]triazolo[4,3-a]azepin-3-yl)methyl)aniline?
You can request a quote for 2,4-Dimethyl-N-((6,7,8,9-tetrahydro-5h-[1,2,4]triazolo[4,3-a]azepin-3-yl)methyl)aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4-Dimethyl-N-((6,7,8,9-tetrahydro-5h-[1,2,4]triazolo[4,3-a]azepin-3-yl)methyl)aniline?
Yes, KEHONG BIO provides custom synthesis services for 2,4-Dimethyl-N-((6,7,8,9-tetrahydro-5h-[1,2,4]triazolo[4,3-a]azepin-3-yl)methyl)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.