3-(cyclohexylmethyl)-2-sulfanyl-4(3H)-quinazolinone
TL;DR: 3-(cyclohexylmethyl)-2-sulfanyl-4(3H)-quinazolinone (CAS 331971-81-4) is a chemical compound with molecular formula C15H18N2OS and molecular weight 274.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(cyclohexylmethyl)-2-sulfanylidene-1H-quinazolin-4-one
Also Known As: CHEMBRDG-BB 5728024, 3-(cyclohexylmethyl)-2-sulfanyl-4(3H)-quinazolinone, BAS 00718587, 3-(cyclohexylmethyl)-2-sulfanylidene-1H-quinazolin-4-one, 3-Cyclohexylmethyl-2-mercapto-3H-quinazolin-4-one
| Molecular Formula | C15H18N2OS |
|---|---|
| Molecular Weight | 274.11 g/mol |
| LogP | 3.63939 |
| Topological Polar Surface Area | 37.79 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 274.11398 |
| Heavy Atoms | 19 |
| Complexity | 695.0932 |
Chemical Identifiers
| CAS Number | 331971-81-4 |
|---|---|
| SMILES | C1CCC(CC1)CN2C(=O)C3=CC=CC=C3NC2=S |
Product Overview
3-(cyclohexylmethyl)-2-sulfanyl-4(3H)-quinazolinone (CAS 331971-81-4), with molecular formula C15H18N2OS and molecular weight 274.11 g/mol. IUPAC: 3-(cyclohexylmethyl)-2-sulfanylidene-1H-quinazolin-4-one.
Chemical Property Profile of 3-(cyclohexylmethyl)-2-sulfanyl-4(3H)-quinazolinone
Property Insights of 3-(cyclohexylmethyl)-2-sulfanyl-4(3H)-quinazolinone
The XLogP value of 3.63939 indicates that 3-(cyclohexylmethyl)-2-sulfanyl-4(3H)-quinazolinone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.79 Ų, 3-(cyclohexylmethyl)-2-sulfanyl-4(3H)-quinazolinone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(cyclohexylmethyl)-2-sulfanyl-4(3H)-quinazolinone has 1 hydrogen bond donor(s) and 2 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-sulfanyl-4(3H)-quinazolinone?
The CAS number of 3-(cyclohexylmethyl)-2-sulfanyl-4(3H)-quinazolinone is 331971-81-4.
What is the molecular formula of 3-(cyclohexylmethyl)-2-sulfanyl-4(3H)-quinazolinone?
The molecular formula of 3-(cyclohexylmethyl)-2-sulfanyl-4(3H)-quinazolinone is C15H18N2OS.
What is the molecular weight of 3-(cyclohexylmethyl)-2-sulfanyl-4(3H)-quinazolinone?
The molecular weight of 3-(cyclohexylmethyl)-2-sulfanyl-4(3H)-quinazolinone is 274.11 g/mol.
Where can I buy 3-(cyclohexylmethyl)-2-sulfanyl-4(3H)-quinazolinone?
You can request a quote for 3-(cyclohexylmethyl)-2-sulfanyl-4(3H)-quinazolinone 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-sulfanyl-4(3H)-quinazolinone?
Yes, KEHONG BIO provides custom synthesis services for 3-(cyclohexylmethyl)-2-sulfanyl-4(3H)-quinazolinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.