CBKinase1_011922
TL;DR: CBKinase1_011922 (CAS 727419-63-8) is a chemical compound with molecular formula C18H14BrN5OS and molecular weight 427.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-(2-bromo-4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]phthalazin-1-one
Also Known As: CBKinase1_011922, CBKinase1_024322, 2-[[4-(2-bromo-4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]phthalazin-1-one, 2-{[4-(2-bromo-4-methylphenyl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]methyl}-1(2H)-phthalazinone, AO-022/43453248
| Molecular Formula | C18H14BrN5OS |
|---|---|
| Molecular Weight | 427.01 g/mol |
| LogP | 3.75901 |
| Topological Polar Surface Area | 68.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 427.01025 |
| Heavy Atoms | 26 |
| Complexity | 1240.2894 |
Chemical Identifiers
| CAS Number | 727419-63-8 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)N2C(=NNC2=S)CN3C(=O)C4=CC=CC=C4C=N3)Br |
Product Overview
CBKinase1_011922 (CAS 727419-63-8), with molecular formula C18H14BrN5OS and molecular weight 427.01 g/mol. IUPAC: 2-[[4-(2-bromo-4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]phthalazin-1-one.
Chemical Property Profile of CBKinase1_011922
Property Insights of CBKinase1_011922
The XLogP value of 3.75901 indicates that CBKinase1_011922 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.5 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_011922. Following Lipinski's Rule of Five, CBKinase1_011922 has 1 hydrogen bond donor(s) and 4 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_011922?
The CAS number of CBKinase1_011922 is 727419-63-8.
What is the molecular formula of CBKinase1_011922?
The molecular formula of CBKinase1_011922 is C18H14BrN5OS.
What is the molecular weight of CBKinase1_011922?
The molecular weight of CBKinase1_011922 is 427.01 g/mol.
Where can I buy CBKinase1_011922?
You can request a quote for CBKinase1_011922 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_011922?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_011922 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.