CBKinase1_004173
TL;DR: CBKinase1_004173 (CAS 694467-79-3) is a chemical compound with molecular formula C19H17Cl3N4O2S and molecular weight 470.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-ethyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2,4,6-trichlorophenyl)acetamide
Also Known As: CBKinase1_004173, CBKinase1_016573, BRD-K43892460-001-01-5, 2-[[4-ethyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2,4,6-trichlorophenyl)acetamide, 2-{[4-ethyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,4,6-trichlorophenyl)acetamide
| Molecular Formula | C19H17Cl3N4O2S |
|---|---|
| Molecular Weight | 470.01 g/mol |
| LogP | 5.6646 |
| Topological Polar Surface Area | 69.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 470.0138 |
| Heavy Atoms | 29 |
| Complexity | 1001.7889 |
Chemical Identifiers
| CAS Number | 694467-79-3 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)NC2=C(C=C(C=C2Cl)Cl)Cl)C3=CC=C(C=C3)OC |
Product Overview
CBKinase1_004173 (CAS 694467-79-3), with molecular formula C19H17Cl3N4O2S and molecular weight 470.01 g/mol. IUPAC: 2-[[4-ethyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2,4,6-trichlorophenyl)acetamide.
Chemical Property Profile of CBKinase1_004173
Property Insights of CBKinase1_004173
The XLogP value of 5.6646 indicates that CBKinase1_004173 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.04 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_004173. Following Lipinski's Rule of Five, CBKinase1_004173 has 1 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_004173?
The CAS number of CBKinase1_004173 is 694467-79-3.
What is the molecular formula of CBKinase1_004173?
The molecular formula of CBKinase1_004173 is C19H17Cl3N4O2S.
What is the molecular weight of CBKinase1_004173?
The molecular weight of CBKinase1_004173 is 470.01 g/mol.
Where can I buy CBKinase1_004173?
You can request a quote for CBKinase1_004173 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_004173?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_004173 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.