![4-[[3-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]-2-(3-methylphenyl)propanoyl]amino]benzenesulfonyl fluoride; ethanesulfonic acid structure](/static/products/2131/21316-39-2.webp)
4-[[3-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]-2-(3-methylphenyl)propanoyl]amino]benzenesulfonyl fluoride; ethanesulfonic acid
TL;DR: 4-[[3-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]-2-(3-methylphenyl)propanoyl]amino]benzenesulfonyl fluoride; ethanesulfonic acid (CAS 21316-39-2) is a chemical compound with molecular formula C29H35FN6O6S2 and molecular weight 646.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[3-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]-2-(3-methylphenyl)propanoyl]amino]benzenesulfonyl fluoride;ethanesulfonic acid
Also Known As: 4-[[3-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]-2-(3-methylphenyl)propanoyl]amino]benzenesulfonyl fluoride; ethanesulfonic acid, 4-[[3-[4-(4,6-Diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]-2-(3-methylphenyl)propanoyl]amino]benzenesulfonyl fluoride;ethanesulfonic acid, Ethanesulfonic acid--4-{3-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)phenyl]-2-(3-methylphenyl)propanamido}benzene-1-sulfonyl fluoride (1/1)
| Molecular Formula | C29H35FN6O6S2 |
|---|---|
| Molecular Weight | 646.20 g/mol |
| LogP | 3.69782 |
| Topological Polar Surface Area | 214.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 646.20435 |
| Heavy Atoms | 44 |
| Complexity | 1120.0 |
Chemical Identifiers
| CAS Number | 21316-39-2 |
|---|---|
| SMILES | CCS(=O)(=O)O.CC1=CC(=CC=C1)C(CC2=CC=C(C=C2)N3C(=NC(=NC3(C)C)N)N)C(=O)NC4=CC=C(C=C4)S(=O)(=O)F |
| InChIKey | SBCTYVLJBYJDFC-UHFFFAOYSA-N |
Product Overview
4-[[3-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]-2-(3-methylphenyl)propanoyl]amino]benzenesulfonyl fluoride; ethanesulfonic acid (CAS 21316-39-2), with molecular formula C29H35FN6O6S2 and molecular weight 646.20 g/mol. IUPAC: 4-[[3-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]-2-(3-methylphenyl)propanoyl]amino]benzenesulfonyl fluoride;ethanesulfonic acid.
Chemical Property Profile of 4-[[3-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]-2-(3-methylphenyl)propanoyl]amino]benzenesulfonyl fluoride; ethanesulfonic acid
Property Insights of 4-[[3-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]-2-(3-methylphenyl)propanoyl]amino]benzenesulfonyl fluoride; ethanesulfonic acid
The XLogP value of 3.69782 indicates that 4-[[3-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]-2-(3-methylphenyl)propanoyl]amino]benzenesulfonyl fluoride; ethanesulfonic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 214.0 Ų indicates high polarity, suggesting 4-[[3-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]-2-(3-methylphenyl)propanoyl]amino]benzenesulfonyl fluoride; ethanesulfonic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-[[3-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]-2-(3-methylphenyl)propanoyl]amino]benzenesulfonyl 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 4-[[3-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]-2-(3-methylphenyl)propanoyl]amino]benzenesulfonyl fluoride; ethanesulfonic acid?
The CAS number of 4-[[3-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]-2-(3-methylphenyl)propanoyl]amino]benzenesulfonyl fluoride; ethanesulfonic acid is 21316-39-2.
What is the molecular formula of 4-[[3-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]-2-(3-methylphenyl)propanoyl]amino]benzenesulfonyl fluoride; ethanesulfonic acid?
The molecular formula of 4-[[3-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]-2-(3-methylphenyl)propanoyl]amino]benzenesulfonyl fluoride; ethanesulfonic acid is C29H35FN6O6S2.
What is the molecular weight of 4-[[3-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]-2-(3-methylphenyl)propanoyl]amino]benzenesulfonyl fluoride; ethanesulfonic acid?
The molecular weight of 4-[[3-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]-2-(3-methylphenyl)propanoyl]amino]benzenesulfonyl fluoride; ethanesulfonic acid is 646.20 g/mol.
Where can I buy 4-[[3-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]-2-(3-methylphenyl)propanoyl]amino]benzenesulfonyl fluoride; ethanesulfonic acid?
You can request a quote for 4-[[3-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]-2-(3-methylphenyl)propanoyl]amino]benzenesulfonyl 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 4-[[3-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]-2-(3-methylphenyl)propanoyl]amino]benzenesulfonyl fluoride; ethanesulfonic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-[[3-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]-2-(3-methylphenyl)propanoyl]amino]benzenesulfonyl fluoride; ethanesulfonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.