CBKinase1_011810
TL;DR: CBKinase1_011810 (CAS 727688-41-7) is a chemical compound with molecular formula C22H16ClN5O3S and molecular weight 465.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[2-[[4-(2-chlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoic acid
Also Known As: CBKinase1_011810, CBKinase1_024210, A3809/0161643, BRD-K61278996-001-01-7, 4-[({[4-(2-chlorophenyl)-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl]thio}acetyl)amino]benzoic acid
| Molecular Formula | C22H16ClN5O3S |
|---|---|
| Molecular Weight | 465.07 g/mol |
| LogP | 4.4117 |
| Topological Polar Surface Area | 110.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 465.06622 |
| Heavy Atoms | 32 |
| Complexity | 1262.3186 |
Chemical Identifiers
| CAS Number | 727688-41-7 |
|---|---|
| SMILES | C1=CC=C(C(=C1)N2C(=NN=C2SCC(=O)NC3=CC=C(C=C3)C(=O)O)C4=CC=NC=C4)Cl |
Product Overview
CBKinase1_011810 (CAS 727688-41-7), with molecular formula C22H16ClN5O3S and molecular weight 465.07 g/mol. IUPAC: 4-[[2-[[4-(2-chlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoic acid.
Chemical Property Profile of CBKinase1_011810
Property Insights of CBKinase1_011810
The XLogP value of 4.4117 indicates that CBKinase1_011810 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_011810. Following Lipinski's Rule of Five, CBKinase1_011810 has 2 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_011810?
The CAS number of CBKinase1_011810 is 727688-41-7.
What is the molecular formula of CBKinase1_011810?
The molecular formula of CBKinase1_011810 is C22H16ClN5O3S.
What is the molecular weight of CBKinase1_011810?
The molecular weight of CBKinase1_011810 is 465.07 g/mol.
Where can I buy CBKinase1_011810?
You can request a quote for CBKinase1_011810 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_011810?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_011810 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.