CBKinase1_011345
TL;DR: CBKinase1_011345 (CAS 831194-08-2) is a chemical compound with molecular formula C25H23ClN4O2S and molecular weight 478.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-chloro-4-methylphenyl)-2-[[4-(2,4-dimethylphenyl)-5-(2-hydroxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: CBKinase1_011345, CBKinase1_023745, N-(3-chloro-4-methylphenyl)-2-{[4-(2,4-dimethylphenyl)-5-(2-hydroxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide, BRD-K33190559-001-01-8, N-(3-chloro-4-methylphenyl)-2-((4-(2,4-dimethylphenyl)-5-(2-hydroxyphenyl)-4H-1,2,4-triazol-3-yl)thio)acetamide
| Molecular Formula | C25H23ClN4O2S |
|---|---|
| Molecular Weight | 478.12 g/mol |
| LogP | 5.94936 |
| Topological Polar Surface Area | 80.04 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 478.12302 |
| Heavy Atoms | 33 |
| Complexity | 1335.989 |
Chemical Identifiers
| CAS Number | 831194-08-2 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)N2C(=NN=C2SCC(=O)NC3=CC(=C(C=C3)C)Cl)C4=CC=CC=C4O)C |
Product Overview
CBKinase1_011345 (CAS 831194-08-2), with molecular formula C25H23ClN4O2S and molecular weight 478.12 g/mol. IUPAC: N-(3-chloro-4-methylphenyl)-2-[[4-(2,4-dimethylphenyl)-5-(2-hydroxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of CBKinase1_011345
Property Insights of CBKinase1_011345
The XLogP value of 5.94936 indicates that CBKinase1_011345 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.04 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_011345. Following Lipinski's Rule of Five, CBKinase1_011345 has 2 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_011345?
The CAS number of CBKinase1_011345 is 831194-08-2.
What is the molecular formula of CBKinase1_011345?
The molecular formula of CBKinase1_011345 is C25H23ClN4O2S.
What is the molecular weight of CBKinase1_011345?
The molecular weight of CBKinase1_011345 is 478.12 g/mol.
Where can I buy CBKinase1_011345?
You can request a quote for CBKinase1_011345 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_011345?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_011345 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.