RefChem:448739
TL;DR: RefChem:448739 (CAS 577695-56-8) is a chemical compound with molecular formula C18H15Cl2N5OS and molecular weight 419.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3,5-dichlorophenyl)-2-[(4-prop-2-enyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
Also Known As: 2-{[4-ALLYL-5-(2-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}-N-(3,5-DICHLOROPHENYL)ACETAMIDE, 2-((4-Allyl-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(3,5-dichlorophenyl)acetamide, N-(3,5-dichlorophenyl)-2-[(4-prop-2-enyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide, 2-((4-Allyl-5-(2-pyridinyl)-4H-1,2,4-triazol-3-YL)sulfanyl)-N-(3,5-dichlorophenyl)acetamide, 637-477-5
| Molecular Formula | C18H15Cl2N5OS |
|---|---|
| Molecular Weight | 419.04 g/mol |
| LogP | 4.5637 |
| Topological Polar Surface Area | 72.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 419.03745 |
| Heavy Atoms | 27 |
| Complexity | 941.39075 |
Chemical Identifiers
| CAS Number | 577695-56-8 |
|---|---|
| SMILES | C=CCN1C(=NN=C1SCC(=O)NC2=CC(=CC(=C2)Cl)Cl)C3=CC=CC=N3 |
Product Overview
RefChem:448739 (CAS 577695-56-8), with molecular formula C18H15Cl2N5OS and molecular weight 419.04 g/mol. IUPAC: N-(3,5-dichlorophenyl)-2-[(4-prop-2-enyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide.
Chemical Property Profile of RefChem:448739
Property Insights of RefChem:448739
The XLogP value of 4.5637 indicates that RefChem:448739 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.7 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:448739. Following Lipinski's Rule of Five, RefChem:448739 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:448739?
The CAS number of RefChem:448739 is 577695-56-8.
What is the molecular formula of RefChem:448739?
The molecular formula of RefChem:448739 is C18H15Cl2N5OS.
What is the molecular weight of RefChem:448739?
The molecular weight of RefChem:448739 is 419.04 g/mol.
Where can I buy RefChem:448739?
You can request a quote for RefChem:448739 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:448739?
Yes, KEHONG BIO provides custom synthesis services for RefChem:448739 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.