![4-({3-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2h)-yl)phenyl]propanoyl}amino)-2-methylbenzenesulfonic acid structure](/static/products/2848/2848-47-7.webp)
4-({3-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2h)-yl)phenyl]propanoyl}amino)-2-methylbenzenesulfonic acid
TL;DR: 4-({3-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2h)-yl)phenyl]propanoyl}amino)-2-methylbenzenesulfonic acid (CAS 2848-47-7) is a chemical compound with molecular formula C21H26N6O4S and molecular weight 458.17 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]propanoylamino]-2-methylbenzenesulfonic acid
Also Known As: 4-({3-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2h)-yl)phenyl]propanoyl}amino)-2-methylbenzenesulfonic acid, 4-[3-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]propanoylamino]-2-methylbenzenesulfonic acid, 4-{3-[4-(4,6-Diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)phenyl]propanamido}-2-methylbenzene-1-sulfonic acid, 4-(3-(4-(4,2-dimethyl-1,3,5-triazin-1(2H)-yl)phenyl)propanamido)-2-methylbenzenesulfonic acid, 4-(3-(4-(4,6-Diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)phenyl)propanamido)-2-methylbenzenesulfonic acid
| Molecular Formula | C21H26N6O4S |
|---|---|
| Molecular Weight | 458.17 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 172.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 458.1736 |
| Heavy Atoms | 32 |
| Complexity | 858.0 |
Chemical Identifiers
| CAS Number | 2848-47-7 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)NC(=O)CCC2=CC=C(C=C2)N3C(=NC(=NC3(C)C)N)N)S(=O)(=O)O |
| InChIKey | MXXVMXXYLWZDMO-UHFFFAOYSA-N |
Product Overview
4-({3-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2h)-yl)phenyl]propanoyl}amino)-2-methylbenzenesulfonic acid (CAS 2848-47-7), with molecular formula C21H26N6O4S and molecular weight 458.17 g/mol. IUPAC: 4-[3-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]propanoylamino]-2-methylbenzenesulfonic acid.
Chemical Property Profile of 4-({3-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2h)-yl)phenyl]propanoyl}amino)-2-methylbenzenesulfonic acid
Property Insights of 4-({3-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2h)-yl)phenyl]propanoyl}amino)-2-methylbenzenesulfonic acid
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-({3-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2h)-yl)phenyl]propanoyl}amino)-2-methylbenzenesulfonic acid. The TPSA of 172.0 Ų indicates high polarity, suggesting 4-({3-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2h)-yl)phenyl]propanoyl}amino)-2-methylbenzenesulfonic 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(2h)-yl)phenyl]propanoyl}amino)-2-methylbenzenesulfonic acid has 4 hydrogen bond donor(s) and 5 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 4-({3-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2h)-yl)phenyl]propanoyl}amino)-2-methylbenzenesulfonic acid?
The CAS number of 4-({3-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2h)-yl)phenyl]propanoyl}amino)-2-methylbenzenesulfonic acid is 2848-47-7.
What is the molecular formula of 4-({3-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2h)-yl)phenyl]propanoyl}amino)-2-methylbenzenesulfonic acid?
The molecular formula of 4-({3-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2h)-yl)phenyl]propanoyl}amino)-2-methylbenzenesulfonic acid is C21H26N6O4S.
What is the molecular weight of 4-({3-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2h)-yl)phenyl]propanoyl}amino)-2-methylbenzenesulfonic acid?
The molecular weight of 4-({3-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2h)-yl)phenyl]propanoyl}amino)-2-methylbenzenesulfonic acid is 458.17 g/mol.
Where can I buy 4-({3-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2h)-yl)phenyl]propanoyl}amino)-2-methylbenzenesulfonic acid?
You can request a quote for 4-({3-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2h)-yl)phenyl]propanoyl}amino)-2-methylbenzenesulfonic 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(2h)-yl)phenyl]propanoyl}amino)-2-methylbenzenesulfonic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-({3-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2h)-yl)phenyl]propanoyl}amino)-2-methylbenzenesulfonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.