CBKinase1_011876
TL;DR: CBKinase1_011876 (CAS 727419-83-2) is a chemical compound with molecular formula C19H15N5O3S and molecular weight 393.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]phthalazin-1-one
Also Known As: CBKinase1_011876, CBKinase1_024276, BRD-K65854995-001-01-2, A3718/0157536, 2-((4-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-5-mercapto-4H-1,2,4-triazol-3-yl)methyl)phthalazin-1(2H)-one
| Molecular Formula | C19H15N5O3S |
|---|---|
| Molecular Weight | 393.09 g/mol |
| LogP | 2.45929 |
| Topological Polar Surface Area | 86.96 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 393.08957 |
| Heavy Atoms | 28 |
| Complexity | 1306.9109 |
Chemical Identifiers
| CAS Number | 727419-83-2 |
|---|---|
| SMILES | C1COC2=C(O1)C=CC(=C2)N3C(=NNC3=S)CN4C(=O)C5=CC=CC=C5C=N4 |
Product Overview
CBKinase1_011876 (CAS 727419-83-2), with molecular formula C19H15N5O3S and molecular weight 393.09 g/mol. IUPAC: 2-[[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]phthalazin-1-one.
Chemical Property Profile of CBKinase1_011876
Property Insights of CBKinase1_011876
The XLogP value of 2.45929 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CBKinase1_011876. The TPSA of 86.96 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_011876. Following Lipinski's Rule of Five, CBKinase1_011876 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_011876?
The CAS number of CBKinase1_011876 is 727419-83-2.
What is the molecular formula of CBKinase1_011876?
The molecular formula of CBKinase1_011876 is C19H15N5O3S.
What is the molecular weight of CBKinase1_011876?
The molecular weight of CBKinase1_011876 is 393.09 g/mol.
Where can I buy CBKinase1_011876?
You can request a quote for CBKinase1_011876 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_011876?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_011876 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.