RefChem:448787
TL;DR: RefChem:448787 (CAS 442642-40-2) is a chemical compound with molecular formula C17H17N5O3S3 and molecular weight 435.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-prop-2-enyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-sulfamoylphenyl)acetamide
Also Known As: BUTTPARK 143\41-52, BUTTPARK 14341-52, 2-((4-Allyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-sulfamoylphenyl)acetamide, 2-{[4-(prop-2-en-1-yl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-sulfamoylphenyl)acetamide, A2721/0115607
| Molecular Formula | C17H17N5O3S3 |
|---|---|
| Molecular Weight | 435.05 g/mol |
| LogP | 2.5708 |
| Topological Polar Surface Area | 119.97 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 435.04935 |
| Heavy Atoms | 28 |
| Complexity | 1073.9532 |
Chemical Identifiers
| CAS Number | 442642-40-2 |
|---|---|
| SMILES | C=CCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N)C3=CC=CS3 |
Product Overview
RefChem:448787 (CAS 442642-40-2), with molecular formula C17H17N5O3S3 and molecular weight 435.05 g/mol. IUPAC: 2-[(4-prop-2-enyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-sulfamoylphenyl)acetamide.
Chemical Property Profile of RefChem:448787
Property Insights of RefChem:448787
The XLogP value of 2.5708 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:448787. The TPSA of 119.97 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:448787. Following Lipinski's Rule of Five, RefChem:448787 has 2 hydrogen bond donor(s) and 7 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:448787?
The CAS number of RefChem:448787 is 442642-40-2.
What is the molecular formula of RefChem:448787?
The molecular formula of RefChem:448787 is C17H17N5O3S3.
What is the molecular weight of RefChem:448787?
The molecular weight of RefChem:448787 is 435.05 g/mol.
Where can I buy RefChem:448787?
You can request a quote for RefChem:448787 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:448787?
Yes, KEHONG BIO provides custom synthesis services for RefChem:448787 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.