![4-[[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]me structure](/static/products/2012/20120-68-7.webp)
4-[[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]me
TL;DR: 4-[[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]me (CAS 20120-68-7) is a chemical compound with molecular formula C22H30FN7O6S2 and molecular weight 571.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]methylcarbamoylamino]-3-methylbenzenesulfonyl fluoride;ethanesulfonic acid
Also Known As: 4-[[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]me, 4-[[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]methylcarbamoylamino]-3-methylbenzenesulfonyl fluoride; ethanesulfonic acid, 4-[[4-(4,6-Diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]methylcarbamoylamino]-3-methylbenzenesulfonyl fluoride;ethanesulfonic acid, Ethanesulfonic acid--4-[({[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)phenyl]methyl}carbamoyl)amino]-3-methylbenzene-1-sulfonyl fluoride (1/1)
| Molecular Formula | C22H30FN7O6S2 |
|---|---|
| Molecular Weight | 571.17 g/mol |
| LogP | 2.05452 |
| Topological Polar Surface Area | 226.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 571.1683 |
| Heavy Atoms | 38 |
| Complexity | 968.0 |
Chemical Identifiers
| CAS Number | 20120-68-7 |
|---|---|
| SMILES | CCS(=O)(=O)O.CC1=C(C=CC(=C1)S(=O)(=O)F)NC(=O)NCC2=CC=C(C=C2)N3C(=NC(=NC3(C)C)N)N |
| InChIKey | LGKDIIPFHZHCBS-UHFFFAOYSA-N |
Product Overview
4-[[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]me (CAS 20120-68-7), with molecular formula C22H30FN7O6S2 and molecular weight 571.17 g/mol. IUPAC: 4-[[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]methylcarbamoylamino]-3-methylbenzenesulfonyl fluoride;ethanesulfonic acid.
Chemical Property Profile of 4-[[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]me
Property Insights of 4-[[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]me
The XLogP value of 2.05452 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]me. The TPSA of 226.0 Ų indicates high polarity, suggesting 4-[[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]me may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-[[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]me has 5 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-[[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]me?
The CAS number of 4-[[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]me is 20120-68-7.
What is the molecular formula of 4-[[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]me?
The molecular formula of 4-[[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]me is C22H30FN7O6S2.
What is the molecular weight of 4-[[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]me?
The molecular weight of 4-[[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]me is 571.17 g/mol.
Where can I buy 4-[[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]me?
You can request a quote for 4-[[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]me directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]me?
Yes, KEHONG BIO provides custom synthesis services for 4-[[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]me and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.