![1-[(3,4,5-Trimethoxyphenyl)carbonyl]spiro[1,2,3,5,6,7,8-heptahydroquinazoline-2,1'-cyclohexane]-4-one structure](/static/products/879/879583-80-9.png)
1-[(3,4,5-Trimethoxyphenyl)carbonyl]spiro[1,2,3,5,6,7,8-heptahydroquinazoline-2,1'-cyclohexane]-4-one
TL;DR: 1-[(3,4,5-Trimethoxyphenyl)carbonyl]spiro[1,2,3,5,6,7,8-heptahydroquinazoline-2,1'-cyclohexane]-4-one (CAS 879583-80-9) is a chemical compound with molecular formula C23H30N2O5 and molecular weight 414.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3,4,5-trimethoxybenzoyl)spiro[5,6,7,8-tetrahydro-3H-quinazoline-2,1'-cyclohexane]-4-one
Also Known As: 1-[(3,4,5-Trimethoxyphenyl)carbonyl]spiro[1,2,3,5,6,7,8-heptahydroquinazoline-2,1'-cyclohexane]-4-one, 1'-(3,4,5-TRIMETHOXYBENZOYL)-3',4',5',6',7',8'-HEXAHYDRO-1'H-SPIRO[CYCLOHEXANE-1,2'-QUINAZOLIN]-4'-ONE, 1'-(3,4,5-trimethoxybenzoyl)-5',6',7',8'-tetrahydro-1'H-spiro[cyclohexane-1,2'-quinazolin]-4'(3'H)-one, 1'-[(3,4,5-trimethoxyphenyl)carbonyl]-5',6',7',8'-tetrahydro-1'H-spiro[cyclohexane-1,2'-quinazolin]-4'(3'H)-one, 1-(3,4,5-trimethoxybenzoyl)spiro[5,6,7,8-tetrahydro-3H-quinazoline-2,1'-cyclohexane]-4-one
| Molecular Formula | C23H30N2O5 |
|---|---|
| Molecular Weight | 414.22 g/mol |
| LogP | 3.7729 |
| Topological Polar Surface Area | 77.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 414.21548 |
| Heavy Atoms | 30 |
| Complexity | 860.5748 |
Chemical Identifiers
| CAS Number | 879583-80-9 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)C(=O)N2C3=C(CCCC3)C(=O)NC24CCCCC4 |
Product Overview
1-[(3,4,5-Trimethoxyphenyl)carbonyl]spiro[1,2,3,5,6,7,8-heptahydroquinazoline-2,1'-cyclohexane]-4-one (CAS 879583-80-9), with molecular formula C23H30N2O5 and molecular weight 414.22 g/mol. IUPAC: 1-(3,4,5-trimethoxybenzoyl)spiro[5,6,7,8-tetrahydro-3H-quinazoline-2,1'-cyclohexane]-4-one.
Chemical Property Profile of 1-[(3,4,5-Trimethoxyphenyl)carbonyl]spiro[1,2,3,5,6,7,8-heptahydroquinazoline-2,1'-cyclohexane]-4-one
Property Insights of 1-[(3,4,5-Trimethoxyphenyl)carbonyl]spiro[1,2,3,5,6,7,8-heptahydroquinazoline-2,1'-cyclohexane]-4-one
The XLogP value of 3.7729 indicates that 1-[(3,4,5-Trimethoxyphenyl)carbonyl]spiro[1,2,3,5,6,7,8-heptahydroquinazoline-2,1'-cyclohexane]-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[(3,4,5-Trimethoxyphenyl)carbonyl]spiro[1,2,3,5,6,7,8-heptahydroquinazoline-2,1'-cyclohexane]-4-one. Following Lipinski's Rule of Five, 1-[(3,4,5-Trimethoxyphenyl)carbonyl]spiro[1,2,3,5,6,7,8-heptahydroquinazoline-2,1'-cyclohexane]-4-one has 1 hydrogen bond donor(s) and 5 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 1-[(3,4,5-Trimethoxyphenyl)carbonyl]spiro[1,2,3,5,6,7,8-heptahydroquinazoline-2,1'-cyclohexane]-4-one?
The CAS number of 1-[(3,4,5-Trimethoxyphenyl)carbonyl]spiro[1,2,3,5,6,7,8-heptahydroquinazoline-2,1'-cyclohexane]-4-one is 879583-80-9.
What is the molecular formula of 1-[(3,4,5-Trimethoxyphenyl)carbonyl]spiro[1,2,3,5,6,7,8-heptahydroquinazoline-2,1'-cyclohexane]-4-one?
The molecular formula of 1-[(3,4,5-Trimethoxyphenyl)carbonyl]spiro[1,2,3,5,6,7,8-heptahydroquinazoline-2,1'-cyclohexane]-4-one is C23H30N2O5.
What is the molecular weight of 1-[(3,4,5-Trimethoxyphenyl)carbonyl]spiro[1,2,3,5,6,7,8-heptahydroquinazoline-2,1'-cyclohexane]-4-one?
The molecular weight of 1-[(3,4,5-Trimethoxyphenyl)carbonyl]spiro[1,2,3,5,6,7,8-heptahydroquinazoline-2,1'-cyclohexane]-4-one is 414.22 g/mol.
Where can I buy 1-[(3,4,5-Trimethoxyphenyl)carbonyl]spiro[1,2,3,5,6,7,8-heptahydroquinazoline-2,1'-cyclohexane]-4-one?
You can request a quote for 1-[(3,4,5-Trimethoxyphenyl)carbonyl]spiro[1,2,3,5,6,7,8-heptahydroquinazoline-2,1'-cyclohexane]-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[(3,4,5-Trimethoxyphenyl)carbonyl]spiro[1,2,3,5,6,7,8-heptahydroquinazoline-2,1'-cyclohexane]-4-one?
Yes, KEHONG BIO provides custom synthesis services for 1-[(3,4,5-Trimethoxyphenyl)carbonyl]spiro[1,2,3,5,6,7,8-heptahydroquinazoline-2,1'-cyclohexane]-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.