CBKinase1_003113
TL;DR: CBKinase1_003113 (CAS 693832-86-9) is a chemical compound with molecular formula C21H17ClN4O2S and molecular weight 424.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-chlorophenyl)-2-[[5-(2-methylfuran-3-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: CBKinase1_003113, CBKinase1_015513, BRD-K22868151-001-01-4, N-(3-chlorophenyl)-2-[[5-(2-methylfuran-3-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide, N-(3-chlorophenyl)-2-[[5-(2-methyl-3-furyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
| Molecular Formula | C21H17ClN4O2S |
|---|---|
| Molecular Weight | 424.08 g/mol |
| LogP | 5.21992 |
| Topological Polar Surface Area | 72.95 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 424.07608 |
| Heavy Atoms | 29 |
| Complexity | 1140.5608 |
Chemical Identifiers
| CAS Number | 693832-86-9 |
|---|---|
| SMILES | CC1=C(C=CO1)C2=NN=C(N2C3=CC=CC=C3)SCC(=O)NC4=CC(=CC=C4)Cl |
Product Overview
CBKinase1_003113 (CAS 693832-86-9), with molecular formula C21H17ClN4O2S and molecular weight 424.08 g/mol. IUPAC: N-(3-chlorophenyl)-2-[[5-(2-methylfuran-3-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of CBKinase1_003113
Property Insights of CBKinase1_003113
The XLogP value of 5.21992 indicates that CBKinase1_003113 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.95 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_003113. Following Lipinski's Rule of Five, CBKinase1_003113 has 1 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_003113?
The CAS number of CBKinase1_003113 is 693832-86-9.
What is the molecular formula of CBKinase1_003113?
The molecular formula of CBKinase1_003113 is C21H17ClN4O2S.
What is the molecular weight of CBKinase1_003113?
The molecular weight of CBKinase1_003113 is 424.08 g/mol.
Where can I buy CBKinase1_003113?
You can request a quote for CBKinase1_003113 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_003113?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_003113 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.