![3-amino-2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-4(3H)-quinazolinone structure](/static/products/7804/78045-82-6.webp)
3-amino-2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-4(3H)-quinazolinone
TL;DR: 3-amino-2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-4(3H)-quinazolinone (CAS 78045-82-6) is a chemical compound with molecular formula C16H12ClN3O2S and molecular weight 345.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-amino-2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanylquinazolin-4-one
Also Known As: 3-amino-2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-4(3H)-quinazolinone, BIM-0035591.P001, AB00099521-01, 3-amino-2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanylquinazolin-4-one, A2079/0087401
| Molecular Formula | C16H12ClN3O2S |
|---|---|
| Molecular Weight | 345.03 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 345.03387 |
| Heavy Atoms | 23 |
| Complexity | 506.0 |
Chemical Identifiers
| CAS Number | 78045-82-6 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC(=O)C3=CC=C(C=C3)Cl)N |
| InChIKey | SQOJKYVBHKHTJU-UHFFFAOYSA-N |
Product Overview
3-amino-2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-4(3H)-quinazolinone (CAS 78045-82-6), with molecular formula C16H12ClN3O2S and molecular weight 345.03 g/mol. IUPAC: 3-amino-2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanylquinazolin-4-one.
Chemical Property Profile of 3-amino-2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-4(3H)-quinazolinone
Property Insights of 3-amino-2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-4(3H)-quinazolinone
The XLogP value of 3.1 indicates that 3-amino-2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-4(3H)-quinazolinone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-amino-2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-4(3H)-quinazolinone. Following Lipinski's Rule of Five, 3-amino-2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-4(3H)-quinazolinone 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 3-amino-2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-4(3H)-quinazolinone?
The CAS number of 3-amino-2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-4(3H)-quinazolinone is 78045-82-6.
What is the molecular formula of 3-amino-2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-4(3H)-quinazolinone?
The molecular formula of 3-amino-2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-4(3H)-quinazolinone is C16H12ClN3O2S.
What is the molecular weight of 3-amino-2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-4(3H)-quinazolinone?
The molecular weight of 3-amino-2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-4(3H)-quinazolinone is 345.03 g/mol.
Where can I buy 3-amino-2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-4(3H)-quinazolinone?
You can request a quote for 3-amino-2-{[2-(4-chlorophenyl)-2-oxoethyl]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-amino-2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-4(3H)-quinazolinone?
Yes, KEHONG BIO provides custom synthesis services for 3-amino-2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-4(3H)-quinazolinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.