![4-Methoxy-N-((6,7,8,9-tetrahydro-5h-[1,2,4]triazolo[4,3-a]azepin-3-yl)methyl)aniline structure](/static/products/3972/397291-55-3.webp)
4-Methoxy-N-((6,7,8,9-tetrahydro-5h-[1,2,4]triazolo[4,3-a]azepin-3-yl)methyl)aniline
TL;DR: 4-Methoxy-N-((6,7,8,9-tetrahydro-5h-[1,2,4]triazolo[4,3-a]azepin-3-yl)methyl)aniline (CAS 397291-55-3) is a chemical compound with molecular formula C15H20N4O and molecular weight 272.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methoxy-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)aniline
Also Known As: 4-Methoxy-N-((6,7,8,9-tetrahydro-5h-[1,2,4]triazolo[4,3-a]azepin-3-yl)methyl)aniline, (4-Methoxy-phenyl)-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)-amine, 4-methoxy-N-({5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-3-yl}methyl)aniline, 4-methoxy-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)aniline, (4-METHOXY-PHENYL)-(6,7,8,9-TETRAHYDRO-5H-[1,2,4]TRIAZOLO[4,3-A]AZEPIN-3-+
| Molecular Formula | C15H20N4O |
|---|---|
| Molecular Weight | 272.16 g/mol |
| LogP | 2.6252 |
| Topological Polar Surface Area | 51.97 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 272.1637 |
| Heavy Atoms | 20 |
| Complexity | 561.7525 |
Chemical Identifiers
| CAS Number | 397291-55-3 |
|---|---|
| SMILES | COC1=CC=C(C=C1)NCC2=NN=C3N2CCCCC3 |
Product Overview
4-Methoxy-N-((6,7,8,9-tetrahydro-5h-[1,2,4]triazolo[4,3-a]azepin-3-yl)methyl)aniline (CAS 397291-55-3), with molecular formula C15H20N4O and molecular weight 272.16 g/mol. IUPAC: 4-methoxy-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)aniline.
Chemical Property Profile of 4-Methoxy-N-((6,7,8,9-tetrahydro-5h-[1,2,4]triazolo[4,3-a]azepin-3-yl)methyl)aniline
Property Insights of 4-Methoxy-N-((6,7,8,9-tetrahydro-5h-[1,2,4]triazolo[4,3-a]azepin-3-yl)methyl)aniline
The XLogP value of 2.6252 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Methoxy-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 51.97 Ų, 4-Methoxy-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, 4-Methoxy-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 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-Methoxy-N-((6,7,8,9-tetrahydro-5h-[1,2,4]triazolo[4,3-a]azepin-3-yl)methyl)aniline?
The CAS number of 4-Methoxy-N-((6,7,8,9-tetrahydro-5h-[1,2,4]triazolo[4,3-a]azepin-3-yl)methyl)aniline is 397291-55-3.
What is the molecular formula of 4-Methoxy-N-((6,7,8,9-tetrahydro-5h-[1,2,4]triazolo[4,3-a]azepin-3-yl)methyl)aniline?
The molecular formula of 4-Methoxy-N-((6,7,8,9-tetrahydro-5h-[1,2,4]triazolo[4,3-a]azepin-3-yl)methyl)aniline is C15H20N4O.
What is the molecular weight of 4-Methoxy-N-((6,7,8,9-tetrahydro-5h-[1,2,4]triazolo[4,3-a]azepin-3-yl)methyl)aniline?
The molecular weight of 4-Methoxy-N-((6,7,8,9-tetrahydro-5h-[1,2,4]triazolo[4,3-a]azepin-3-yl)methyl)aniline is 272.16 g/mol.
Where can I buy 4-Methoxy-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 4-Methoxy-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 4-Methoxy-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 4-Methoxy-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.