![5-[3-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]propanoylamino]-2-methylbenzenesulfonyl fluoride; ethanesulfonic acid structure](/static/products/2132/21321-06-2.webp)
5-[3-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]propanoylamino]-2-methylbenzenesulfonyl fluoride; ethanesulfonic acid
TL;DR: 5-[3-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]propanoylamino]-2-methylbenzenesulfonyl fluoride; ethanesulfonic acid (CAS 21321-06-2) is a chemical compound with molecular formula C23H31FN6O6S2 and molecular weight 570.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[3-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]propanoylamino]-2-methylbenzenesulfonyl fluoride;ethanesulfonic acid
Also Known As: 5-[3-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]propanoylamino]-2-methylbenzenesulfonyl fluoride; ethanesulfonic acid, 5-[3-[4-(4,6-Diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]propanoylamino]-2-methylbenzenesulfonyl fluoride;ethanesulfonic acid, Ethanesulfonic acid--5-{3-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)phenyl]propanamido}-2-methylbenzene-1-sulfonyl fluoride (1/1)
| Molecular Formula | C23H31FN6O6S2 |
|---|---|
| Molecular Weight | 570.17 g/mol |
| LogP | 2.30412 |
| Topological Polar Surface Area | 214.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 570.17303 |
| Heavy Atoms | 38 |
| Complexity | 966.0 |
Chemical Identifiers
| CAS Number | 21321-06-2 |
|---|---|
| SMILES | CCS(=O)(=O)O.CC1=C(C=C(C=C1)NC(=O)CCC2=CC=C(C=C2)N3C(=NC(=NC3(C)C)N)N)S(=O)(=O)F |
| InChIKey | XBRVUAXGHDQTDI-UHFFFAOYSA-N |
Product Overview
5-[3-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]propanoylamino]-2-methylbenzenesulfonyl fluoride; ethanesulfonic acid (CAS 21321-06-2), with molecular formula C23H31FN6O6S2 and molecular weight 570.17 g/mol. IUPAC: 5-[3-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]propanoylamino]-2-methylbenzenesulfonyl fluoride;ethanesulfonic acid.
Chemical Property Profile of 5-[3-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]propanoylamino]-2-methylbenzenesulfonyl fluoride; ethanesulfonic acid
Property Insights of 5-[3-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]propanoylamino]-2-methylbenzenesulfonyl fluoride; ethanesulfonic acid
The XLogP value of 2.30412 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-[3-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]propanoylamino]-2-methylbenzenesulfonyl fluoride; ethanesulfonic acid. The TPSA of 214.0 Ų indicates high polarity, suggesting 5-[3-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]propanoylamino]-2-methylbenzenesulfonyl fluoride; ethanesulfonic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 5-[3-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]propanoylamino]-2-methylbenzenesulfonyl fluoride; ethanesulfonic acid has 4 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-[3-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]propanoylamino]-2-methylbenzenesulfonyl fluoride; ethanesulfonic acid?
The CAS number of 5-[3-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]propanoylamino]-2-methylbenzenesulfonyl fluoride; ethanesulfonic acid is 21321-06-2.
What is the molecular formula of 5-[3-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]propanoylamino]-2-methylbenzenesulfonyl fluoride; ethanesulfonic acid?
The molecular formula of 5-[3-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]propanoylamino]-2-methylbenzenesulfonyl fluoride; ethanesulfonic acid is C23H31FN6O6S2.
What is the molecular weight of 5-[3-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]propanoylamino]-2-methylbenzenesulfonyl fluoride; ethanesulfonic acid?
The molecular weight of 5-[3-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]propanoylamino]-2-methylbenzenesulfonyl fluoride; ethanesulfonic acid is 570.17 g/mol.
Where can I buy 5-[3-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]propanoylamino]-2-methylbenzenesulfonyl fluoride; ethanesulfonic acid?
You can request a quote for 5-[3-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]propanoylamino]-2-methylbenzenesulfonyl fluoride; ethanesulfonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-[3-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]propanoylamino]-2-methylbenzenesulfonyl fluoride; ethanesulfonic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-[3-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]propanoylamino]-2-methylbenzenesulfonyl fluoride; ethanesulfonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.