CBKinase1_005313
TL;DR: CBKinase1_005313 (CAS 700858-35-1) is a chemical compound with molecular formula C25H19ClN4OS and molecular weight 458.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(6-chloro-4-phenylquinazolin-2-yl)sulfanyl-1-(3-phenyl-3,4-dihydropyrazol-2-yl)ethanone
Also Known As: CBKinase1_005313, CBKinase1_017713, 2-[(6-chloro-4-phenylquinazolin-2-yl)sulfanyl]-1-(5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)ethanone, BRD-A06590544-001-01-2, 2-(6-chloro-4-phenyl-quinazolin-2-yl)sulfanyl-1-(5-phenyl-4,5-dihydropyrazol-1-yl)ethanone
| Molecular Formula | C25H19ClN4OS |
|---|---|
| Molecular Weight | 458.10 g/mol |
| LogP | 6.0017 |
| Topological Polar Surface Area | 58.45 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 458.0968 |
| Heavy Atoms | 32 |
| Complexity | 1297.597 |
Chemical Identifiers
| CAS Number | 700858-35-1 |
|---|---|
| SMILES | C1C=NN(C1C2=CC=CC=C2)C(=O)CSC3=NC4=C(C=C(C=C4)Cl)C(=N3)C5=CC=CC=C5 |
Product Overview
CBKinase1_005313 (CAS 700858-35-1), with molecular formula C25H19ClN4OS and molecular weight 458.10 g/mol. IUPAC: 2-(6-chloro-4-phenylquinazolin-2-yl)sulfanyl-1-(3-phenyl-3,4-dihydropyrazol-2-yl)ethanone.
Chemical Property Profile of CBKinase1_005313
Property Insights of CBKinase1_005313
The XLogP value of 6.0017 indicates that CBKinase1_005313 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.45 Ų, CBKinase1_005313 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, CBKinase1_005313 has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of CBKinase1_005313?
The CAS number of CBKinase1_005313 is 700858-35-1.
What is the molecular formula of CBKinase1_005313?
The molecular formula of CBKinase1_005313 is C25H19ClN4OS.
What is the molecular weight of CBKinase1_005313?
The molecular weight of CBKinase1_005313 is 458.10 g/mol.
Where can I buy CBKinase1_005313?
You can request a quote for CBKinase1_005313 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_005313?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_005313 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.