CBKinase1_007216
TL;DR: CBKinase1_007216 (CAS 503592-04-9) 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.
N-(2-chlorophenyl)-2-[[5-(4-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: CBKinase1_007216, CBKinase1_019616, BAS 02107402, BRD-K40232418-001-01-0, N-(2-chlorophenyl)-2-[[5-(4-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
| Molecular Formula | C22H16ClN5O3S |
|---|---|
| Molecular Weight | 465.07 g/mol |
| LogP | 5.2267 |
| Topological Polar Surface Area | 102.95 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 465.06622 |
| Heavy Atoms | 32 |
| Complexity | 1262.3186 |
Chemical Identifiers
| CAS Number | 503592-04-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=CC=CC=C3Cl)C4=CC=C(C=C4)[N+](=O)[O-] |
Product Overview
CBKinase1_007216 (CAS 503592-04-9), with molecular formula C22H16ClN5O3S and molecular weight 465.07 g/mol. IUPAC: N-(2-chlorophenyl)-2-[[5-(4-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of CBKinase1_007216
Property Insights of CBKinase1_007216
The XLogP value of 5.2267 indicates that CBKinase1_007216 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.95 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_007216. Following Lipinski's Rule of Five, CBKinase1_007216 has 1 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_007216?
The CAS number of CBKinase1_007216 is 503592-04-9.
What is the molecular formula of CBKinase1_007216?
The molecular formula of CBKinase1_007216 is C22H16ClN5O3S.
What is the molecular weight of CBKinase1_007216?
The molecular weight of CBKinase1_007216 is 465.07 g/mol.
Where can I buy CBKinase1_007216?
You can request a quote for CBKinase1_007216 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_007216?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_007216 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.