![3-[3-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]propanoylamino]-4-methoxybenzenesulfonyl fluoride; ethanesulfonic acid structure](/static/products/2141/21412-55-5.webp)
3-[3-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]propanoylamino]-4-methoxybenzenesulfonyl fluoride; ethanesulfonic acid
TL;DR: 3-[3-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]propanoylamino]-4-methoxybenzenesulfonyl fluoride; ethanesulfonic acid (CAS 21412-55-5) is a chemical compound with molecular formula C23H31FN6O7S2 and molecular weight 586.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[3-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]propanoylamino]-4-methoxybenzenesulfonyl fluoride;ethanesulfonic acid
Also Known As: 3-[3-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]propanoylamino]-4-methoxybenzenesulfonyl fluoride; ethanesulfonic acid, 3-[3-[4-(4,6-Diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]propanoylamino]-4-methoxybenzenesulfonyl fluoride;ethanesulfonic acid, Ethanesulfonic acid--3-{3-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)phenyl]propanamido}-4-methoxybenzene-1-sulfonyl fluoride (1/1)
| Molecular Formula | C23H31FN6O7S2 |
|---|---|
| Molecular Weight | 586.17 g/mol |
| LogP | 2.0043 |
| Topological Polar Surface Area | 224.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 586.16797 |
| Heavy Atoms | 39 |
| Complexity | 985.0 |
Chemical Identifiers
| CAS Number | 21412-55-5 |
|---|---|
| SMILES | CCS(=O)(=O)O.CC1(N=C(N=C(N1C2=CC=C(C=C2)CCC(=O)NC3=C(C=CC(=C3)S(=O)(=O)F)OC)N)N)C |
| InChIKey | GBIATJDLMOFFLO-UHFFFAOYSA-N |
Product Overview
3-[3-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]propanoylamino]-4-methoxybenzenesulfonyl fluoride; ethanesulfonic acid (CAS 21412-55-5), with molecular formula C23H31FN6O7S2 and molecular weight 586.17 g/mol. IUPAC: 3-[3-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]propanoylamino]-4-methoxybenzenesulfonyl fluoride;ethanesulfonic acid.
Chemical Property Profile of 3-[3-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]propanoylamino]-4-methoxybenzenesulfonyl fluoride; ethanesulfonic acid
Property Insights of 3-[3-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]propanoylamino]-4-methoxybenzenesulfonyl fluoride; ethanesulfonic acid
The XLogP value of 2.0043 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[3-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]propanoylamino]-4-methoxybenzenesulfonyl fluoride; ethanesulfonic acid. The TPSA of 224.0 Ų indicates high polarity, suggesting 3-[3-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]propanoylamino]-4-methoxybenzenesulfonyl fluoride; ethanesulfonic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3-[3-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]propanoylamino]-4-methoxybenzenesulfonyl fluoride; ethanesulfonic acid has 4 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-[3-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]propanoylamino]-4-methoxybenzenesulfonyl fluoride; ethanesulfonic acid?
The CAS number of 3-[3-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]propanoylamino]-4-methoxybenzenesulfonyl fluoride; ethanesulfonic acid is 21412-55-5.
What is the molecular formula of 3-[3-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]propanoylamino]-4-methoxybenzenesulfonyl fluoride; ethanesulfonic acid?
The molecular formula of 3-[3-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]propanoylamino]-4-methoxybenzenesulfonyl fluoride; ethanesulfonic acid is C23H31FN6O7S2.
What is the molecular weight of 3-[3-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]propanoylamino]-4-methoxybenzenesulfonyl fluoride; ethanesulfonic acid?
The molecular weight of 3-[3-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]propanoylamino]-4-methoxybenzenesulfonyl fluoride; ethanesulfonic acid is 586.17 g/mol.
Where can I buy 3-[3-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]propanoylamino]-4-methoxybenzenesulfonyl fluoride; ethanesulfonic acid?
You can request a quote for 3-[3-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]propanoylamino]-4-methoxybenzenesulfonyl 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 3-[3-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]propanoylamino]-4-methoxybenzenesulfonyl fluoride; ethanesulfonic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[3-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]propanoylamino]-4-methoxybenzenesulfonyl fluoride; ethanesulfonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.