CBKinase1_004539
TL;DR: CBKinase1_004539 (CAS 694484-82-7) is a chemical compound with molecular formula C19H17Cl3N4OS and molecular weight 454.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-chloro-4-methylphenyl)-2-[[5-(3,4-dichlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: CBKinase1_004539, CBKinase1_016939, N-(3-chloro-4-methylphenyl)-2-[[5-(3,4-dichlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetamide, N-(3-chloro-4-methylphenyl)-2-{[5-(3,4-dichlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
| Molecular Formula | C19H17Cl3N4OS |
|---|---|
| Molecular Weight | 454.02 g/mol |
| LogP | 5.96442 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 454.01886 |
| Heavy Atoms | 28 |
| Complexity | 1022.4085 |
Chemical Identifiers
| CAS Number | 694484-82-7 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)NC2=CC(=C(C=C2)C)Cl)C3=CC(=C(C=C3)Cl)Cl |
Product Overview
CBKinase1_004539 (CAS 694484-82-7), with molecular formula C19H17Cl3N4OS and molecular weight 454.02 g/mol. IUPAC: N-(3-chloro-4-methylphenyl)-2-[[5-(3,4-dichlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of CBKinase1_004539
Property Insights of CBKinase1_004539
The XLogP value of 5.96442 indicates that CBKinase1_004539 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.81 Ų, CBKinase1_004539 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, CBKinase1_004539 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of CBKinase1_004539?
The CAS number of CBKinase1_004539 is 694484-82-7.
What is the molecular formula of CBKinase1_004539?
The molecular formula of CBKinase1_004539 is C19H17Cl3N4OS.
What is the molecular weight of CBKinase1_004539?
The molecular weight of CBKinase1_004539 is 454.02 g/mol.
Where can I buy CBKinase1_004539?
You can request a quote for CBKinase1_004539 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_004539?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_004539 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.