3-(Cyclohexylmethyl)-2-ethylsulfanylquinazolin-4-one
TL;DR: 3-(Cyclohexylmethyl)-2-ethylsulfanylquinazolin-4-one (CAS 331971-88-1) is a chemical compound with molecular formula C17H22N2OS and molecular weight 302.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(cyclohexylmethyl)-2-ethylsulfanylquinazolin-4-one
Also Known As: ChemDiv2_004147, IDI1_002862, BAS 00718613, 3-(cyclohexylmethyl)-2-ethylsulfanylquinazolin-4-one, AB00094852-01
| Molecular Formula | C17H22N2OS |
|---|---|
| Molecular Weight | 302.15 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 58.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 302.1453 |
| Heavy Atoms | 21 |
| Complexity | 404.0 |
Chemical Identifiers
| CAS Number | 331971-88-1 |
|---|---|
| SMILES | CCSC1=NC2=CC=CC=C2C(=O)N1CC3CCCCC3 |
| InChIKey | NYLIDQRTUUSQGY-UHFFFAOYSA-N |
Product Overview
3-(Cyclohexylmethyl)-2-ethylsulfanylquinazolin-4-one (CAS 331971-88-1), with molecular formula C17H22N2OS and molecular weight 302.15 g/mol. IUPAC: 3-(cyclohexylmethyl)-2-ethylsulfanylquinazolin-4-one.
Chemical Property Profile of 3-(Cyclohexylmethyl)-2-ethylsulfanylquinazolin-4-one
Property Insights of 3-(Cyclohexylmethyl)-2-ethylsulfanylquinazolin-4-one
The XLogP value of 4.6 indicates that 3-(Cyclohexylmethyl)-2-ethylsulfanylquinazolin-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.0 Ų, 3-(Cyclohexylmethyl)-2-ethylsulfanylquinazolin-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Cyclohexylmethyl)-2-ethylsulfanylquinazolin-4-one has 0 hydrogen bond donor(s) and 3 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 3-(Cyclohexylmethyl)-2-ethylsulfanylquinazolin-4-one?
The CAS number of 3-(Cyclohexylmethyl)-2-ethylsulfanylquinazolin-4-one is 331971-88-1.
What is the molecular formula of 3-(Cyclohexylmethyl)-2-ethylsulfanylquinazolin-4-one?
The molecular formula of 3-(Cyclohexylmethyl)-2-ethylsulfanylquinazolin-4-one is C17H22N2OS.
What is the molecular weight of 3-(Cyclohexylmethyl)-2-ethylsulfanylquinazolin-4-one?
The molecular weight of 3-(Cyclohexylmethyl)-2-ethylsulfanylquinazolin-4-one is 302.15 g/mol.
Where can I buy 3-(Cyclohexylmethyl)-2-ethylsulfanylquinazolin-4-one?
You can request a quote for 3-(Cyclohexylmethyl)-2-ethylsulfanylquinazolin-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Cyclohexylmethyl)-2-ethylsulfanylquinazolin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(Cyclohexylmethyl)-2-ethylsulfanylquinazolin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.