F1748-0006
TL;DR: F1748-0006 (CAS 690642-88-7) is a chemical compound with molecular formula C21H22N8O4S3 and molecular weight 546.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-[(2-amino-1,3-thiazol-4-yl)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]acetamide
Also Known As: F1748-0006, 2-((4-allyl-5-((2-aminothiazol-4-yl)methyl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-(N-(5-methylisoxazol-3-yl)sulfamoyl)phenyl)acetamide, 2-({5-[(2-amino-1,3-thiazol-4-yl)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-{4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl}acetamide, 2-[[5-[(2-amino-1,3-thiazol-4-yl)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]acetamide, 2-{5-[(2-amino(1,3-thiazol-4-yl))methyl]-4-prop-2-enyl(1,2,4-triazol-3-ylthio) }-N-(4-{[(5-methylisoxazol-3-yl)amino]sulfonyl}phenyl)acetamide
| Molecular Formula | C21H22N8O4S3 |
|---|---|
| Molecular Weight | 546.09 g/mol |
| LogP | 2.92162 |
| Topological Polar Surface Area | 170.92 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 11 |
| Exact Mass | 546.0926 |
| Heavy Atoms | 36 |
| Complexity | 1474.8545 |
Chemical Identifiers
| CAS Number | 690642-88-7 |
|---|---|
| SMILES | CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)CSC3=NN=C(N3CC=C)CC4=CSC(=N4)N |
Product Overview
F1748-0006 (CAS 690642-88-7), with molecular formula C21H22N8O4S3 and molecular weight 546.09 g/mol. IUPAC: 2-[[5-[(2-amino-1,3-thiazol-4-yl)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]acetamide.
Chemical Property Profile of F1748-0006
Property Insights of F1748-0006
The XLogP value of 2.92162 suggests moderate lipophilicity, balancing water solubility and membrane permeability for F1748-0006. The TPSA of 170.92 Ų indicates high polarity, suggesting F1748-0006 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, F1748-0006 has 3 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of F1748-0006?
The CAS number of F1748-0006 is 690642-88-7.
What is the molecular formula of F1748-0006?
The molecular formula of F1748-0006 is C21H22N8O4S3.
What is the molecular weight of F1748-0006?
The molecular weight of F1748-0006 is 546.09 g/mol.
Where can I buy F1748-0006?
You can request a quote for F1748-0006 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F1748-0006?
Yes, KEHONG BIO provides custom synthesis services for F1748-0006 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.