3-(2-Chloro-phenyl)-2-(9H-purin-6-ylsulfanylmethyl)-3H-quinazolin-4-one
TL;DR: 3-(2-Chloro-phenyl)-2-(9H-purin-6-ylsulfanylmethyl)-3H-quinazolin-4-one (CAS 371243-63-9) is a chemical compound with molecular formula C20H13ClN6OS and molecular weight 420.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-chlorophenyl)-2-(7H-purin-6-ylsulfanylmethyl)quinazolin-4-one
Also Known As: CBKinase1_007907, CBKinase1_020307, BAS 09175674, BRD-K82623842-001-01-5, 3-(2-chlorophenyl)-2-(7H-purin-6-ylsulfanylmethyl)quinazolin-4-one
| Molecular Formula | C20H13ClN6OS |
|---|---|
| Molecular Weight | 420.06 g/mol |
| LogP | 3.9977 |
| Topological Polar Surface Area | 89.35 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 420.056 |
| Heavy Atoms | 29 |
| Complexity | 1413.315 |
Chemical Identifiers
| CAS Number | 371243-63-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)N(C(=N2)CSC3=NC=NC4=C3NC=N4)C5=CC=CC=C5Cl |
Product Overview
3-(2-Chloro-phenyl)-2-(9H-purin-6-ylsulfanylmethyl)-3H-quinazolin-4-one (CAS 371243-63-9), with molecular formula C20H13ClN6OS and molecular weight 420.06 g/mol. IUPAC: 3-(2-chlorophenyl)-2-(7H-purin-6-ylsulfanylmethyl)quinazolin-4-one.
Chemical Property Profile of 3-(2-Chloro-phenyl)-2-(9H-purin-6-ylsulfanylmethyl)-3H-quinazolin-4-one
Property Insights of 3-(2-Chloro-phenyl)-2-(9H-purin-6-ylsulfanylmethyl)-3H-quinazolin-4-one
The XLogP value of 3.9977 indicates that 3-(2-Chloro-phenyl)-2-(9H-purin-6-ylsulfanylmethyl)-3H-quinazolin-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.35 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(2-Chloro-phenyl)-2-(9H-purin-6-ylsulfanylmethyl)-3H-quinazolin-4-one. Following Lipinski's Rule of Five, 3-(2-Chloro-phenyl)-2-(9H-purin-6-ylsulfanylmethyl)-3H-quinazolin-4-one has 1 hydrogen bond donor(s) and 6 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-(2-Chloro-phenyl)-2-(9H-purin-6-ylsulfanylmethyl)-3H-quinazolin-4-one?
The CAS number of 3-(2-Chloro-phenyl)-2-(9H-purin-6-ylsulfanylmethyl)-3H-quinazolin-4-one is 371243-63-9.
What is the molecular formula of 3-(2-Chloro-phenyl)-2-(9H-purin-6-ylsulfanylmethyl)-3H-quinazolin-4-one?
The molecular formula of 3-(2-Chloro-phenyl)-2-(9H-purin-6-ylsulfanylmethyl)-3H-quinazolin-4-one is C20H13ClN6OS.
What is the molecular weight of 3-(2-Chloro-phenyl)-2-(9H-purin-6-ylsulfanylmethyl)-3H-quinazolin-4-one?
The molecular weight of 3-(2-Chloro-phenyl)-2-(9H-purin-6-ylsulfanylmethyl)-3H-quinazolin-4-one is 420.06 g/mol.
Where can I buy 3-(2-Chloro-phenyl)-2-(9H-purin-6-ylsulfanylmethyl)-3H-quinazolin-4-one?
You can request a quote for 3-(2-Chloro-phenyl)-2-(9H-purin-6-ylsulfanylmethyl)-3H-quinazolin-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-(2-Chloro-phenyl)-2-(9H-purin-6-ylsulfanylmethyl)-3H-quinazolin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-Chloro-phenyl)-2-(9H-purin-6-ylsulfanylmethyl)-3H-quinazolin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.