![N-(3-chloro-4-methoxyphenyl)-2-((3-(2-methylallyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl)thio)acetamide structure](/static/products/575/575469-99-7.png)
N-(3-chloro-4-methoxyphenyl)-2-((3-(2-methylallyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl)thio)acetamide
TL;DR: N-(3-chloro-4-methoxyphenyl)-2-((3-(2-methylallyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl)thio)acetamide (CAS 575469-99-7) is a chemical compound with molecular formula C30H32ClN3O3S and molecular weight 549.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-chloro-4-methoxyphenyl)-2-[3-(2-methylprop-2-enyl)-4-oxospiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-2-yl]sulfanylacetamide
Also Known As: N-(3-chloro-4-methoxyphenyl)-2-((3-(2-methylallyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl)thio)acetamide, N-(3-chloro-4-methoxyphenyl)-2-[3-(2-methylprop-2-enyl)-4-oxospiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-2-yl]sulfanylacetamide, N-(3-chloro-4-methoxyphenyl)-2-{[3-(2-methylprop-2-en-1-yl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl]sulfanyl}acetamide
| Molecular Formula | C30H32ClN3O3S |
|---|---|
| Molecular Weight | 549.19 g/mol |
| LogP | 6.6372 |
| Topological Polar Surface Area | 73.22 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 549.1853 |
| Heavy Atoms | 38 |
| Complexity | 1459.5825 |
Chemical Identifiers
| CAS Number | 575469-99-7 |
|---|---|
| SMILES | CC(=C)CN1C(=O)C2=C(C3=CC=CC=C3CC24CCCCC4)N=C1SCC(=O)NC5=CC(=C(C=C5)OC)Cl |
Product Overview
N-(3-chloro-4-methoxyphenyl)-2-((3-(2-methylallyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl)thio)acetamide (CAS 575469-99-7), with molecular formula C30H32ClN3O3S and molecular weight 549.19 g/mol. IUPAC: N-(3-chloro-4-methoxyphenyl)-2-[3-(2-methylprop-2-enyl)-4-oxospiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-2-yl]sulfanylacetamide.
Chemical Property Profile of N-(3-chloro-4-methoxyphenyl)-2-((3-(2-methylallyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl)thio)acetamide
Property Insights of N-(3-chloro-4-methoxyphenyl)-2-((3-(2-methylallyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl)thio)acetamide
The XLogP value of 6.6372 indicates that N-(3-chloro-4-methoxyphenyl)-2-((3-(2-methylallyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl)thio)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.22 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(3-chloro-4-methoxyphenyl)-2-((3-(2-methylallyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl)thio)acetamide. Following Lipinski's Rule of Five, N-(3-chloro-4-methoxyphenyl)-2-((3-(2-methylallyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl)thio)acetamide has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-(3-chloro-4-methoxyphenyl)-2-((3-(2-methylallyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl)thio)acetamide?
The CAS number of N-(3-chloro-4-methoxyphenyl)-2-((3-(2-methylallyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl)thio)acetamide is 575469-99-7.
What is the molecular formula of N-(3-chloro-4-methoxyphenyl)-2-((3-(2-methylallyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl)thio)acetamide?
The molecular formula of N-(3-chloro-4-methoxyphenyl)-2-((3-(2-methylallyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl)thio)acetamide is C30H32ClN3O3S.
What is the molecular weight of N-(3-chloro-4-methoxyphenyl)-2-((3-(2-methylallyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl)thio)acetamide?
The molecular weight of N-(3-chloro-4-methoxyphenyl)-2-((3-(2-methylallyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl)thio)acetamide is 549.19 g/mol.
Where can I buy N-(3-chloro-4-methoxyphenyl)-2-((3-(2-methylallyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl)thio)acetamide?
You can request a quote for N-(3-chloro-4-methoxyphenyl)-2-((3-(2-methylallyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl)thio)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(3-chloro-4-methoxyphenyl)-2-((3-(2-methylallyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl)thio)acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(3-chloro-4-methoxyphenyl)-2-((3-(2-methylallyl)-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl)thio)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.