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N-(1-cyanocyclohexyl)-2-[3-(3,5-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide
TL;DR: N-(1-cyanocyclohexyl)-2-[3-(3,5-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide (CAS 793688-97-8) is a chemical compound with molecular formula C26H28N4O2S and molecular weight 460.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1-cyanocyclohexyl)-2-[3-(3,5-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide
Also Known As: N-(1-cyanocyclohexyl)-2-[3-(3,5-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide, N-(1-cyanocyclohexyl)-2-[3-(3,5-dimethylphenyl)-4-oxo-quinazolin-2-yl]sulfanyl-propanamide, N-(1-cyanocyclohexyl)-2-{[3-(3,5-dimethylphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}propanamide
| Molecular Formula | C26H28N4O2S |
|---|---|
| Molecular Weight | 460.19 g/mol |
| LogP | 4.82582 |
| Topological Polar Surface Area | 87.78 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 460.1933 |
| Heavy Atoms | 33 |
| Complexity | 1281.6202 |
Chemical Identifiers
| CAS Number | 793688-97-8 |
|---|---|
| SMILES | CC1=CC(=CC(=C1)N2C(=O)C3=CC=CC=C3N=C2SC(C)C(=O)NC4(CCCCC4)C#N)C |
Product Overview
N-(1-cyanocyclohexyl)-2-[3-(3,5-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide (CAS 793688-97-8), with molecular formula C26H28N4O2S and molecular weight 460.19 g/mol. IUPAC: N-(1-cyanocyclohexyl)-2-[3-(3,5-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide.
Chemical Property Profile of N-(1-cyanocyclohexyl)-2-[3-(3,5-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide
Property Insights of N-(1-cyanocyclohexyl)-2-[3-(3,5-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide
The XLogP value of 4.82582 indicates that N-(1-cyanocyclohexyl)-2-[3-(3,5-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.78 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(1-cyanocyclohexyl)-2-[3-(3,5-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide. Following Lipinski's Rule of Five, N-(1-cyanocyclohexyl)-2-[3-(3,5-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide 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 N-(1-cyanocyclohexyl)-2-[3-(3,5-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide?
The CAS number of N-(1-cyanocyclohexyl)-2-[3-(3,5-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide is 793688-97-8.
What is the molecular formula of N-(1-cyanocyclohexyl)-2-[3-(3,5-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide?
The molecular formula of N-(1-cyanocyclohexyl)-2-[3-(3,5-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide is C26H28N4O2S.
What is the molecular weight of N-(1-cyanocyclohexyl)-2-[3-(3,5-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide?
The molecular weight of N-(1-cyanocyclohexyl)-2-[3-(3,5-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide is 460.19 g/mol.
Where can I buy N-(1-cyanocyclohexyl)-2-[3-(3,5-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide?
You can request a quote for N-(1-cyanocyclohexyl)-2-[3-(3,5-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(1-cyanocyclohexyl)-2-[3-(3,5-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide?
Yes, KEHONG BIO provides custom synthesis services for N-(1-cyanocyclohexyl)-2-[3-(3,5-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.