![2-(3-(isopentyloxy)phenyl)-5H-spiro[benzo[h][1,2,4]triazolo[1,5-c]quinazoline-4,1'-cyclohexane] structure](/static/products/578/578752-14-4.png)
2-(3-(isopentyloxy)phenyl)-5H-spiro[benzo[h][1,2,4]triazolo[1,5-c]quinazoline-4,1'-cyclohexane]
TL;DR: 2-(3-(isopentyloxy)phenyl)-5H-spiro[benzo[h][1,2,4]triazolo[1,5-c]quinazoline-4,1'-cyclohexane] (CAS 578752-14-4) is a chemical compound with molecular formula C29H32N4O and molecular weight 452.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
13-[3-(3-methylbutoxy)phenyl]spiro[12,14,15,17-tetrazatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),2,4,6,11,13,16-heptaene-9,1'-cyclohexane]
Also Known As: 2-(3-(isopentyloxy)phenyl)-5H-spiro[benzo[h][1,2,4]triazolo[1,5-c]quinazoline-4,1'-cyclohexane], 2-[3-(3-methylbutoxy)phenyl]-5H-spiro[benzo[h][1,2,4]triazolo[1,5-c]quinazoline-4,1'-cyclohexane]
| Molecular Formula | C29H32N4O |
|---|---|
| Molecular Weight | 452.26 g/mol |
| LogP | 6.6412 |
| Topological Polar Surface Area | 52.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 452.2576 |
| Heavy Atoms | 34 |
| Complexity | 1333.2257 |
Chemical Identifiers
| CAS Number | 578752-14-4 |
|---|---|
| SMILES | CC(C)CCOC1=CC=CC(=C1)C2=NN3C=NC4=C(C3=N2)C5(CCCCC5)CC6=CC=CC=C64 |
Product Overview
2-(3-(isopentyloxy)phenyl)-5H-spiro[benzo[h][1,2,4]triazolo[1,5-c]quinazoline-4,1'-cyclohexane] (CAS 578752-14-4), with molecular formula C29H32N4O and molecular weight 452.26 g/mol. IUPAC: 13-[3-(3-methylbutoxy)phenyl]spiro[12,14,15,17-tetrazatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),2,4,6,11,13,16-heptaene-9,1'-cyclohexane].
Chemical Property Profile of 2-(3-(isopentyloxy)phenyl)-5H-spiro[benzo[h][1,2,4]triazolo[1,5-c]quinazoline-4,1'-cyclohexane]
Property Insights of 2-(3-(isopentyloxy)phenyl)-5H-spiro[benzo[h][1,2,4]triazolo[1,5-c]quinazoline-4,1'-cyclohexane]
The XLogP value of 6.6412 indicates that 2-(3-(isopentyloxy)phenyl)-5H-spiro[benzo[h][1,2,4]triazolo[1,5-c]quinazoline-4,1'-cyclohexane] is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.31 Ų, 2-(3-(isopentyloxy)phenyl)-5H-spiro[benzo[h][1,2,4]triazolo[1,5-c]quinazoline-4,1'-cyclohexane] exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(3-(isopentyloxy)phenyl)-5H-spiro[benzo[h][1,2,4]triazolo[1,5-c]quinazoline-4,1'-cyclohexane] has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(3-(isopentyloxy)phenyl)-5H-spiro[benzo[h][1,2,4]triazolo[1,5-c]quinazoline-4,1'-cyclohexane]?
The CAS number of 2-(3-(isopentyloxy)phenyl)-5H-spiro[benzo[h][1,2,4]triazolo[1,5-c]quinazoline-4,1'-cyclohexane] is 578752-14-4.
What is the molecular formula of 2-(3-(isopentyloxy)phenyl)-5H-spiro[benzo[h][1,2,4]triazolo[1,5-c]quinazoline-4,1'-cyclohexane]?
The molecular formula of 2-(3-(isopentyloxy)phenyl)-5H-spiro[benzo[h][1,2,4]triazolo[1,5-c]quinazoline-4,1'-cyclohexane] is C29H32N4O.
What is the molecular weight of 2-(3-(isopentyloxy)phenyl)-5H-spiro[benzo[h][1,2,4]triazolo[1,5-c]quinazoline-4,1'-cyclohexane]?
The molecular weight of 2-(3-(isopentyloxy)phenyl)-5H-spiro[benzo[h][1,2,4]triazolo[1,5-c]quinazoline-4,1'-cyclohexane] is 452.26 g/mol.
Where can I buy 2-(3-(isopentyloxy)phenyl)-5H-spiro[benzo[h][1,2,4]triazolo[1,5-c]quinazoline-4,1'-cyclohexane]?
You can request a quote for 2-(3-(isopentyloxy)phenyl)-5H-spiro[benzo[h][1,2,4]triazolo[1,5-c]quinazoline-4,1'-cyclohexane] directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3-(isopentyloxy)phenyl)-5H-spiro[benzo[h][1,2,4]triazolo[1,5-c]quinazoline-4,1'-cyclohexane]?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-(isopentyloxy)phenyl)-5H-spiro[benzo[h][1,2,4]triazolo[1,5-c]quinazoline-4,1'-cyclohexane] and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.