CBKinase1_011882
TL;DR: CBKinase1_011882 (CAS 838271-89-9) is a chemical compound with molecular formula C21H15ClN4O3S2 and molecular weight 470.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[2-[[4-(2-chlorophenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoic acid
Also Known As: CBKinase1_011882, CBKinase1_024282, BRD-K80857064-001-01-2, 3-(2-((4-(2-chlorophenyl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl)thio)acetamido)benzoic acid, 3-[[2-[[4-(2-chlorophenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoic Acid
| Molecular Formula | C21H15ClN4O3S2 |
|---|---|
| Molecular Weight | 470.03 g/mol |
| LogP | 5.0782 |
| Topological Polar Surface Area | 97.11 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 470.0274 |
| Heavy Atoms | 31 |
| Complexity | 1241.173 |
Chemical Identifiers
| CAS Number | 838271-89-9 |
|---|---|
| SMILES | C1=CC=C(C(=C1)N2C(=NN=C2SCC(=O)NC3=CC=CC(=C3)C(=O)O)C4=CC=CS4)Cl |
Product Overview
CBKinase1_011882 (CAS 838271-89-9), with molecular formula C21H15ClN4O3S2 and molecular weight 470.03 g/mol. IUPAC: 3-[[2-[[4-(2-chlorophenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoic acid.
Chemical Property Profile of CBKinase1_011882
Property Insights of CBKinase1_011882
The XLogP value of 5.0782 indicates that CBKinase1_011882 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.11 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_011882. Following Lipinski's Rule of Five, CBKinase1_011882 has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of CBKinase1_011882?
The CAS number of CBKinase1_011882 is 838271-89-9.
What is the molecular formula of CBKinase1_011882?
The molecular formula of CBKinase1_011882 is C21H15ClN4O3S2.
What is the molecular weight of CBKinase1_011882?
The molecular weight of CBKinase1_011882 is 470.03 g/mol.
Where can I buy CBKinase1_011882?
You can request a quote for CBKinase1_011882 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_011882?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_011882 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.