4-[4-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy
TL;DR: 4-[4-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy (CAS 21320-52-5) is a chemical compound with molecular formula C23H32FN5O7S2 and molecular weight 573.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[4-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]butoxy]benzenesulfonyl fluoride;ethanesulfonic acid
Also Known As: 4-[4-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy, 4-[4-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]butoxy]benzenesulfonyl fluoride; ethanesulfonic acid, 4-[4-[4-(4,6-Diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]butoxy]benzenesulfonyl fluoride;ethanesulfonic acid, Ethanesulfonic acid--4-{4-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)phenoxy]butoxy}benzene-1-sulfonyl fluoride (1/1)
| Molecular Formula | C23H32FN5O7S2 |
|---|---|
| Molecular Weight | 573.17 g/mol |
| LogP | 2.6624 |
| Topological Polar Surface Area | 204.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 10 |
| Exact Mass | 573.1727 |
| Heavy Atoms | 38 |
| Complexity | 888.0 |
Chemical Identifiers
| CAS Number | 21320-52-5 |
|---|---|
| SMILES | CCS(=O)(=O)O.CC1(N=C(N=C(N1C2=CC=C(C=C2)OCCCCOC3=CC=C(C=C3)S(=O)(=O)F)N)N)C |
| InChIKey | YAWRDSCFQIRELL-UHFFFAOYSA-N |
Product Overview
4-[4-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy (CAS 21320-52-5), with molecular formula C23H32FN5O7S2 and molecular weight 573.17 g/mol. IUPAC: 4-[4-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]butoxy]benzenesulfonyl fluoride;ethanesulfonic acid.
Chemical Property Profile of 4-[4-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy
Property Insights of 4-[4-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy
The XLogP value of 2.6624 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[4-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy. The TPSA of 204.0 Ų indicates high polarity, suggesting 4-[4-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-[4-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy has 3 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 4-[4-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy?
The CAS number of 4-[4-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy is 21320-52-5.
What is the molecular formula of 4-[4-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy?
The molecular formula of 4-[4-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy is C23H32FN5O7S2.
What is the molecular weight of 4-[4-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy?
The molecular weight of 4-[4-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy is 573.17 g/mol.
Where can I buy 4-[4-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy?
You can request a quote for 4-[4-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy 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-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy?
Yes, KEHONG BIO provides custom synthesis services for 4-[4-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.