CBKinase1_002371
TL;DR: CBKinase1_002371 (CAS 332935-67-8) is a chemical compound with molecular formula C23H18ClN5O3S and molecular weight 479.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(5-chloro-2-methylphenyl)-2-[[5-(4-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: CBKinase1_002371, CBKinase1_014771, BAS 01916127, BRD-K96871986-001-01-0, N-(5-chloro-2-methylphenyl)-2-[[5-(4-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
| Molecular Formula | C23H18ClN5O3S |
|---|---|
| Molecular Weight | 479.08 g/mol |
| LogP | 5.53512 |
| Topological Polar Surface Area | 102.95 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 479.08188 |
| Heavy Atoms | 33 |
| Complexity | 1309.6887 |
Chemical Identifiers
| CAS Number | 332935-67-8 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)Cl)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=C(C=C4)[N+](=O)[O-] |
Product Overview
CBKinase1_002371 (CAS 332935-67-8), with molecular formula C23H18ClN5O3S and molecular weight 479.08 g/mol. IUPAC: N-(5-chloro-2-methylphenyl)-2-[[5-(4-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of CBKinase1_002371
Property Insights of CBKinase1_002371
The XLogP value of 5.53512 indicates that CBKinase1_002371 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_002371. Following Lipinski's Rule of Five, CBKinase1_002371 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_002371?
The CAS number of CBKinase1_002371 is 332935-67-8.
What is the molecular formula of CBKinase1_002371?
The molecular formula of CBKinase1_002371 is C23H18ClN5O3S.
What is the molecular weight of CBKinase1_002371?
The molecular weight of CBKinase1_002371 is 479.08 g/mol.
Where can I buy CBKinase1_002371?
You can request a quote for CBKinase1_002371 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_002371?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_002371 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.