RefChem:448695
TL;DR: RefChem:448695 (CAS 442641-51-2) is a chemical compound with molecular formula C17H17N5O4S2 and molecular weight 419.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(furan-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-sulfamoylphenyl)acetamide
Also Known As: TimTec1_002228, 2-{[5-(furan-2-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-sulfamoylphenyl)acetamide, A2718/0115522, BRD-K82839547-001-01-5, 2-((4-Allyl-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-sulfamoylphenyl)acetamide
| Molecular Formula | C17H17N5O4S2 |
|---|---|
| Molecular Weight | 419.07 g/mol |
| LogP | 2.1023 |
| Topological Polar Surface Area | 133.11 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 419.0722 |
| Heavy Atoms | 28 |
| Complexity | 1073.463 |
Chemical Identifiers
| CAS Number | 442641-51-2 |
|---|---|
| SMILES | C=CCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N)C3=CC=CO3 |
Product Overview
RefChem:448695 (CAS 442641-51-2), with molecular formula C17H17N5O4S2 and molecular weight 419.07 g/mol. IUPAC: 2-[[5-(furan-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-sulfamoylphenyl)acetamide.
Chemical Property Profile of RefChem:448695
Property Insights of RefChem:448695
The XLogP value of 2.1023 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:448695. The TPSA of 133.11 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:448695. Following Lipinski's Rule of Five, RefChem:448695 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:448695?
The CAS number of RefChem:448695 is 442641-51-2.
What is the molecular formula of RefChem:448695?
The molecular formula of RefChem:448695 is C17H17N5O4S2.
What is the molecular weight of RefChem:448695?
The molecular weight of RefChem:448695 is 419.07 g/mol.
Where can I buy RefChem:448695?
You can request a quote for RefChem:448695 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:448695?
Yes, KEHONG BIO provides custom synthesis services for RefChem:448695 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.