CBKinase1_001583
TL;DR: CBKinase1_001583 (CAS 499211-99-3) is a chemical compound with molecular formula C22H15ClN4O4S and molecular weight 466.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2-nitrophenyl)acetamide
Also Known As: CBKinase1_001583, CBKinase1_013983, BRD-K37959081-001-01-9, 2-[[3-(4-Chlorophenyl)-3,4-dihydro-4-oxo-2-quinazolinyl]thio]-N-(2-nitrophenyl)acetamide, 2-{[3-(4-chlorophenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}-N-(2-nitrophenyl)acetamide
| Molecular Formula | C22H15ClN4O4S |
|---|---|
| Molecular Weight | 466.05 g/mol |
| LogP | 4.6781 |
| Topological Polar Surface Area | 107.13 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 466.05026 |
| Heavy Atoms | 32 |
| Complexity | 1389.0876 |
Chemical Identifiers
| CAS Number | 499211-99-3 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC(=O)NC3=CC=CC=C3[N+](=O)[O-])C4=CC=C(C=C4)Cl |
Product Overview
CBKinase1_001583 (CAS 499211-99-3), with molecular formula C22H15ClN4O4S and molecular weight 466.05 g/mol. IUPAC: 2-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2-nitrophenyl)acetamide.
Chemical Property Profile of CBKinase1_001583
Property Insights of CBKinase1_001583
The XLogP value of 4.6781 indicates that CBKinase1_001583 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 107.13 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_001583. Following Lipinski's Rule of Five, CBKinase1_001583 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 CBKinase1_001583?
The CAS number of CBKinase1_001583 is 499211-99-3.
What is the molecular formula of CBKinase1_001583?
The molecular formula of CBKinase1_001583 is C22H15ClN4O4S.
What is the molecular weight of CBKinase1_001583?
The molecular weight of CBKinase1_001583 is 466.05 g/mol.
Where can I buy CBKinase1_001583?
You can request a quote for CBKinase1_001583 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_001583?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_001583 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.