CBKinase1_004253
TL;DR: CBKinase1_004253 (CAS 517869-38-4) is a chemical compound with molecular formula C24H19N3O4S and molecular weight 445.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(2-anilino-2-oxoethyl)sulfanyl-4-oxo-3-phenylquinazoline-7-carboxylate
Also Known As: CBKinase1_004253, CBKinase1_016653, VU0048204-1, BRD-K33768120-001-01-1, methyl 4-oxo-2-{[2-oxo-2-(phenylamino)ethyl]sulfanyl}-3-phenyl-3,4-dihydroquinazoline-7-carboxylate
| Molecular Formula | C24H19N3O4S |
|---|---|
| Molecular Weight | 445.11 g/mol |
| LogP | 3.9031 |
| Topological Polar Surface Area | 90.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 445.10962 |
| Heavy Atoms | 32 |
| Complexity | 1338.2169 |
Chemical Identifiers
| CAS Number | 517869-38-4 |
|---|---|
| SMILES | COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC(=O)NC3=CC=CC=C3)C4=CC=CC=C4 |
Product Overview
CBKinase1_004253 (CAS 517869-38-4), with molecular formula C24H19N3O4S and molecular weight 445.11 g/mol. IUPAC: methyl 2-(2-anilino-2-oxoethyl)sulfanyl-4-oxo-3-phenylquinazoline-7-carboxylate.
Chemical Property Profile of CBKinase1_004253
Property Insights of CBKinase1_004253
The XLogP value of 3.9031 indicates that CBKinase1_004253 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.29 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_004253. Following Lipinski's Rule of Five, CBKinase1_004253 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_004253?
The CAS number of CBKinase1_004253 is 517869-38-4.
What is the molecular formula of CBKinase1_004253?
The molecular formula of CBKinase1_004253 is C24H19N3O4S.
What is the molecular weight of CBKinase1_004253?
The molecular weight of CBKinase1_004253 is 445.11 g/mol.
Where can I buy CBKinase1_004253?
You can request a quote for CBKinase1_004253 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_004253?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_004253 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.