![4-phenyl-4H-spiro[benzo[h]tetrazolo[1,5-a]quinazoline-6,1'-cyclohexan]-5(7H)-one structure](/static/products/3005/300591-18-8.webp)
4-phenyl-4H-spiro[benzo[h]tetrazolo[1,5-a]quinazoline-6,1'-cyclohexan]-5(7H)-one
TL;DR: 4-phenyl-4H-spiro[benzo[h]tetrazolo[1,5-a]quinazoline-6,1'-cyclohexan]-5(7H)-one (CAS 300591-18-8) is a chemical compound with molecular formula C23H21N5O and molecular weight 383.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
12-phenylspiro[12,14,15,16,17-pentazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,13,15-hexaene-9,1'-cyclohexane]-11-one
Also Known As: BAS 00335789, AB00093369-01, AE-848/31946042, 4-phenyl-4H-spiro[benzo[h]tetrazolo[1,5-a]quinazoline-6,1'-cyclohexan]-5(7H)-one, 12'-phenyl-12',14',15',16',17'-pentaazaspiro[cyclohexane-1,9'-tetracyclo[8.7.0.0^{2,7}.0^{13,17}]heptadecane]-1'(10'),2'(7'),3',5',13',15'-hexaen-11'-one
| Molecular Formula | C23H21N5O |
|---|---|
| Molecular Weight | 383.17 g/mol |
| LogP | 3.7002 |
| Topological Polar Surface Area | 65.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 383.17462 |
| Heavy Atoms | 29 |
| Complexity | 1281.8698 |
Chemical Identifiers
| CAS Number | 300591-18-8 |
|---|---|
| SMILES | C1CCC2(CC1)CC3=CC=CC=C3C4=C2C(=O)N(C5=NN=NN45)C6=CC=CC=C6 |
Product Overview
4-phenyl-4H-spiro[benzo[h]tetrazolo[1,5-a]quinazoline-6,1'-cyclohexan]-5(7H)-one (CAS 300591-18-8), with molecular formula C23H21N5O and molecular weight 383.17 g/mol. IUPAC: 12-phenylspiro[12,14,15,16,17-pentazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,13,15-hexaene-9,1'-cyclohexane]-11-one.
Chemical Property Profile of 4-phenyl-4H-spiro[benzo[h]tetrazolo[1,5-a]quinazoline-6,1'-cyclohexan]-5(7H)-one
Property Insights of 4-phenyl-4H-spiro[benzo[h]tetrazolo[1,5-a]quinazoline-6,1'-cyclohexan]-5(7H)-one
The XLogP value of 3.7002 indicates that 4-phenyl-4H-spiro[benzo[h]tetrazolo[1,5-a]quinazoline-6,1'-cyclohexan]-5(7H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.08 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-phenyl-4H-spiro[benzo[h]tetrazolo[1,5-a]quinazoline-6,1'-cyclohexan]-5(7H)-one. Following Lipinski's Rule of Five, 4-phenyl-4H-spiro[benzo[h]tetrazolo[1,5-a]quinazoline-6,1'-cyclohexan]-5(7H)-one has 0 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-phenyl-4H-spiro[benzo[h]tetrazolo[1,5-a]quinazoline-6,1'-cyclohexan]-5(7H)-one?
The CAS number of 4-phenyl-4H-spiro[benzo[h]tetrazolo[1,5-a]quinazoline-6,1'-cyclohexan]-5(7H)-one is 300591-18-8.
What is the molecular formula of 4-phenyl-4H-spiro[benzo[h]tetrazolo[1,5-a]quinazoline-6,1'-cyclohexan]-5(7H)-one?
The molecular formula of 4-phenyl-4H-spiro[benzo[h]tetrazolo[1,5-a]quinazoline-6,1'-cyclohexan]-5(7H)-one is C23H21N5O.
What is the molecular weight of 4-phenyl-4H-spiro[benzo[h]tetrazolo[1,5-a]quinazoline-6,1'-cyclohexan]-5(7H)-one?
The molecular weight of 4-phenyl-4H-spiro[benzo[h]tetrazolo[1,5-a]quinazoline-6,1'-cyclohexan]-5(7H)-one is 383.17 g/mol.
Where can I buy 4-phenyl-4H-spiro[benzo[h]tetrazolo[1,5-a]quinazoline-6,1'-cyclohexan]-5(7H)-one?
You can request a quote for 4-phenyl-4H-spiro[benzo[h]tetrazolo[1,5-a]quinazoline-6,1'-cyclohexan]-5(7H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-phenyl-4H-spiro[benzo[h]tetrazolo[1,5-a]quinazoline-6,1'-cyclohexan]-5(7H)-one?
Yes, KEHONG BIO provides custom synthesis services for 4-phenyl-4H-spiro[benzo[h]tetrazolo[1,5-a]quinazoline-6,1'-cyclohexan]-5(7H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.