CBKinase1_008722
TL;DR: CBKinase1_008722 (CAS 577696-77-6) is a chemical compound with molecular formula C17H19N3O3S and molecular weight 345.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[[5-(furan-2-yl)-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-3,3-dimethylbutan-2-one
Also Known As: CBKinase1_008722, CBKinase1_021122, BRD-K71868082-001-01-8, 1-{[5-(furan-2-yl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-3,3-dimethylbutan-2-one, 1-[5-(2-furyl)-4-(2-furylmethyl)(1,2,4-triazol-3-ylthio)]-3,3-dimethylbutan-2- one
| Molecular Formula | C17H19N3O3S |
|---|---|
| Molecular Weight | 345.11 g/mol |
| LogP | 3.8867 |
| Topological Polar Surface Area | 74.06 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 345.11472 |
| Heavy Atoms | 24 |
| Complexity | 798.8756 |
Chemical Identifiers
| CAS Number | 577696-77-6 |
|---|---|
| SMILES | CC(C)(C)C(=O)CSC1=NN=C(N1CC2=CC=CO2)C3=CC=CO3 |
Product Overview
CBKinase1_008722 (CAS 577696-77-6), with molecular formula C17H19N3O3S and molecular weight 345.11 g/mol. IUPAC: 1-[[5-(furan-2-yl)-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-3,3-dimethylbutan-2-one.
Chemical Property Profile of CBKinase1_008722
Property Insights of CBKinase1_008722
The XLogP value of 3.8867 indicates that CBKinase1_008722 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.06 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_008722. Following Lipinski's Rule of Five, CBKinase1_008722 has 0 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_008722?
The CAS number of CBKinase1_008722 is 577696-77-6.
What is the molecular formula of CBKinase1_008722?
The molecular formula of CBKinase1_008722 is C17H19N3O3S.
What is the molecular weight of CBKinase1_008722?
The molecular weight of CBKinase1_008722 is 345.11 g/mol.
Where can I buy CBKinase1_008722?
You can request a quote for CBKinase1_008722 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_008722?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_008722 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.