RefChem:825933
TL;DR: RefChem:825933 (CAS 561294-87-9) is a chemical compound with molecular formula C16H14Cl2N4OS2 and molecular weight 412.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3,5-dichlorophenyl)-2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
Also Known As: CBKinase1_002693, CBKinase1_015093, SALOR-INT L366293-1EA, BRD-K67969864-001-01-4, N-(3,5-dichlorophenyl)-2-{[4-ethyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
| Molecular Formula | C16H14Cl2N4OS2 |
|---|---|
| Molecular Weight | 412.00 g/mol |
| LogP | 5.0641 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 411.9986 |
| Heavy Atoms | 25 |
| Complexity | 860.1495 |
Chemical Identifiers
| CAS Number | 561294-87-9 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)NC2=CC(=CC(=C2)Cl)Cl)C3=CC=CS3 |
Product Overview
RefChem:825933 (CAS 561294-87-9), with molecular formula C16H14Cl2N4OS2 and molecular weight 412.00 g/mol. IUPAC: N-(3,5-dichlorophenyl)-2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide.
Chemical Property Profile of RefChem:825933
Property Insights of RefChem:825933
The XLogP value of 5.0641 indicates that RefChem:825933 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.81 Ų, RefChem:825933 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:825933 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 RefChem:825933?
The CAS number of RefChem:825933 is 561294-87-9.
What is the molecular formula of RefChem:825933?
The molecular formula of RefChem:825933 is C16H14Cl2N4OS2.
What is the molecular weight of RefChem:825933?
The molecular weight of RefChem:825933 is 412.00 g/mol.
Where can I buy RefChem:825933?
You can request a quote for RefChem:825933 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:825933?
Yes, KEHONG BIO provides custom synthesis services for RefChem:825933 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.