![2-(4-isobutoxyphenyl)-5H-spiro[benzo[h][1,2,4]triazolo[1,5-c]quinazoline-4,1'-cyclohexane] structure](/static/products/836/836629-61-9.png)
2-(4-isobutoxyphenyl)-5H-spiro[benzo[h][1,2,4]triazolo[1,5-c]quinazoline-4,1'-cyclohexane]
TL;DR: 2-(4-isobutoxyphenyl)-5H-spiro[benzo[h][1,2,4]triazolo[1,5-c]quinazoline-4,1'-cyclohexane] (CAS 836629-61-9) is a chemical compound with molecular formula C28H30N4O and molecular weight 438.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
13-[4-(2-methylpropoxy)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-(4-isobutoxyphenyl)-5H-spiro[benzo[h][1,2,4]triazolo[1,5-c]quinazoline-4,1'-cyclohexane], 2-[4-(2-methylpropoxy)phenyl]-5H-spiro[benzo[h][1,2,4]triazolo[1,5-c]quinazoline-4,1'-cyclohexane]
| Molecular Formula | C28H30N4O |
|---|---|
| Molecular Weight | 438.24 g/mol |
| LogP | 6.2511 |
| Topological Polar Surface Area | 52.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 438.24197 |
| Heavy Atoms | 33 |
| Complexity | 1299.484 |
Chemical Identifiers
| CAS Number | 836629-61-9 |
|---|---|
| SMILES | CC(C)COC1=CC=C(C=C1)C2=NN3C=NC4=C(C3=N2)C5(CCCCC5)CC6=CC=CC=C64 |
Product Overview
2-(4-isobutoxyphenyl)-5H-spiro[benzo[h][1,2,4]triazolo[1,5-c]quinazoline-4,1'-cyclohexane] (CAS 836629-61-9), with molecular formula C28H30N4O and molecular weight 438.24 g/mol. IUPAC: 13-[4-(2-methylpropoxy)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-(4-isobutoxyphenyl)-5H-spiro[benzo[h][1,2,4]triazolo[1,5-c]quinazoline-4,1'-cyclohexane]
Property Insights of 2-(4-isobutoxyphenyl)-5H-spiro[benzo[h][1,2,4]triazolo[1,5-c]quinazoline-4,1'-cyclohexane]
The XLogP value of 6.2511 indicates that 2-(4-isobutoxyphenyl)-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-(4-isobutoxyphenyl)-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-(4-isobutoxyphenyl)-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-(4-isobutoxyphenyl)-5H-spiro[benzo[h][1,2,4]triazolo[1,5-c]quinazoline-4,1'-cyclohexane]?
The CAS number of 2-(4-isobutoxyphenyl)-5H-spiro[benzo[h][1,2,4]triazolo[1,5-c]quinazoline-4,1'-cyclohexane] is 836629-61-9.
What is the molecular formula of 2-(4-isobutoxyphenyl)-5H-spiro[benzo[h][1,2,4]triazolo[1,5-c]quinazoline-4,1'-cyclohexane]?
The molecular formula of 2-(4-isobutoxyphenyl)-5H-spiro[benzo[h][1,2,4]triazolo[1,5-c]quinazoline-4,1'-cyclohexane] is C28H30N4O.
What is the molecular weight of 2-(4-isobutoxyphenyl)-5H-spiro[benzo[h][1,2,4]triazolo[1,5-c]quinazoline-4,1'-cyclohexane]?
The molecular weight of 2-(4-isobutoxyphenyl)-5H-spiro[benzo[h][1,2,4]triazolo[1,5-c]quinazoline-4,1'-cyclohexane] is 438.24 g/mol.
Where can I buy 2-(4-isobutoxyphenyl)-5H-spiro[benzo[h][1,2,4]triazolo[1,5-c]quinazoline-4,1'-cyclohexane]?
You can request a quote for 2-(4-isobutoxyphenyl)-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-(4-isobutoxyphenyl)-5H-spiro[benzo[h][1,2,4]triazolo[1,5-c]quinazoline-4,1'-cyclohexane]?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-isobutoxyphenyl)-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.