CBKinase1_005322
TL;DR: CBKinase1_005322 (CAS 694516-00-2) is a chemical compound with molecular formula C18H15Cl3N4O2S and molecular weight 456.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(5-chloro-2-methoxyphenyl)-2-[[5-(3,4-dichlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: CBKinase1_005322, CBKinase1_017722, BRD-K83280005-001-01-6, N-(5-chloro-2-methoxyphenyl)-2-[[5-(3,4-dichlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide, N-(5-chloro-2-methoxyphenyl)-2-{[5-(3,4-dichlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
| Molecular Formula | C18H15Cl3N4O2S |
|---|---|
| Molecular Weight | 456.00 g/mol |
| LogP | 5.1817 |
| Topological Polar Surface Area | 69.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 455.99814 |
| Heavy Atoms | 28 |
| Complexity | 1026.0604 |
Chemical Identifiers
| CAS Number | 694516-00-2 |
|---|---|
| SMILES | CN1C(=NN=C1SCC(=O)NC2=C(C=CC(=C2)Cl)OC)C3=CC(=C(C=C3)Cl)Cl |
Product Overview
CBKinase1_005322 (CAS 694516-00-2), with molecular formula C18H15Cl3N4O2S and molecular weight 456.00 g/mol. IUPAC: N-(5-chloro-2-methoxyphenyl)-2-[[5-(3,4-dichlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of CBKinase1_005322
Property Insights of CBKinase1_005322
The XLogP value of 5.1817 indicates that CBKinase1_005322 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_005322. Following Lipinski's Rule of Five, CBKinase1_005322 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_005322?
The CAS number of CBKinase1_005322 is 694516-00-2.
What is the molecular formula of CBKinase1_005322?
The molecular formula of CBKinase1_005322 is C18H15Cl3N4O2S.
What is the molecular weight of CBKinase1_005322?
The molecular weight of CBKinase1_005322 is 456.00 g/mol.
Where can I buy CBKinase1_005322?
You can request a quote for CBKinase1_005322 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_005322?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_005322 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.