4-[[(E)-3-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)ph
TL;DR: 4-[[(E)-3-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)ph (CAS 21314-27-2) is a chemical compound with molecular formula C22H27FN6O6S2 and molecular weight 554.14 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]prop-2-enoylamino]benzenesulfonyl fluoride;ethanesulfonic acid
Also Known As: 4-[[(E)-3-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)ph, 4-[3-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]prop-2-enoylamino]benzenesulfonyl fluoride; ethanesulfonic acid
| Molecular Formula | C22H27FN6O6S2 |
|---|---|
| Molecular Weight | 554.14 g/mol |
| LogP | 2.0763 |
| Topological Polar Surface Area | 214.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 554.1417 |
| Heavy Atoms | 37 |
| Complexity | 969.0 |
Chemical Identifiers
| CAS Number | 21314-27-2 |
|---|---|
| SMILES | CCS(=O)(=O)O.CC1(N=C(N=C(N1C2=CC=C(C=C2)C=CC(=O)NC3=CC=C(C=C3)S(=O)(=O)F)N)N)C |
| InChIKey | GABYOSSKKPEFLO-UHFFFAOYSA-N |
Product Overview
4-[[(E)-3-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)ph (CAS 21314-27-2), with molecular formula C22H27FN6O6S2 and molecular weight 554.14 g/mol. IUPAC: 4-[3-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]prop-2-enoylamino]benzenesulfonyl fluoride;ethanesulfonic acid.
Chemical Property Profile of 4-[[(E)-3-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)ph
Property Insights of 4-[[(E)-3-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)ph
The XLogP value of 2.0763 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[[(E)-3-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)ph. The TPSA of 214.0 Ų indicates high polarity, suggesting 4-[[(E)-3-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)ph may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-[[(E)-3-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)ph 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-[[(E)-3-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)ph?
The CAS number of 4-[[(E)-3-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)ph is 21314-27-2.
What is the molecular formula of 4-[[(E)-3-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)ph?
The molecular formula of 4-[[(E)-3-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)ph is C22H27FN6O6S2.
What is the molecular weight of 4-[[(E)-3-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)ph?
The molecular weight of 4-[[(E)-3-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)ph is 554.14 g/mol.
Where can I buy 4-[[(E)-3-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)ph?
You can request a quote for 4-[[(E)-3-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)ph directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[[(E)-3-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)ph?
Yes, KEHONG BIO provides custom synthesis services for 4-[[(E)-3-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)ph and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.