N-benzyl-3-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)p
TL;DR: N-benzyl-3-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)p (CAS 50876-32-9) is a chemical compound with molecular formula C24H34N6O4S and molecular weight 502.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-benzyl-3-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]-N-methylpropanamide;ethanesulfonic acid
Also Known As: N-benzyl-3-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)p, ethanesulfonic acid- n-benzyl-3-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2h)-yl)phenyl]-n-methylpropanamide(1:1), N-benzyl-3-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]-N-methyl-propanamide, Ethanesulfonic acid--N-benzyl-3-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)phenyl]-N-methylpropanamide (1/1), N-benzyl-3-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]-N-methylpropanamide; ethanesulfonic acid
| Molecular Formula | C24H34N6O4S |
|---|---|
| Molecular Weight | 502.24 g/mol |
| LogP | 2.3574 |
| Topological Polar Surface Area | 163.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 502.23624 |
| Heavy Atoms | 35 |
| Complexity | 734.0 |
Chemical Identifiers
| CAS Number | 50876-32-9 |
|---|---|
| SMILES | CCS(=O)(=O)O.CC1(N=C(N=C(N1C2=CC=C(C=C2)CCC(=O)N(C)CC3=CC=CC=C3)N)N)C |
| InChIKey | OKMMSHIEMAESNN-UHFFFAOYSA-N |
Product Overview
N-benzyl-3-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)p (CAS 50876-32-9), with molecular formula C24H34N6O4S and molecular weight 502.24 g/mol. IUPAC: N-benzyl-3-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]-N-methylpropanamide;ethanesulfonic acid.
Chemical Property Profile of N-benzyl-3-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)p
Property Insights of N-benzyl-3-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)p
The XLogP value of 2.3574 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-benzyl-3-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)p. The TPSA of 163.0 Ų indicates high polarity, suggesting N-benzyl-3-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)p may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-benzyl-3-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)p has 3 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-benzyl-3-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)p?
The CAS number of N-benzyl-3-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)p is 50876-32-9.
What is the molecular formula of N-benzyl-3-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)p?
The molecular formula of N-benzyl-3-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)p is C24H34N6O4S.
What is the molecular weight of N-benzyl-3-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)p?
The molecular weight of N-benzyl-3-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)p is 502.24 g/mol.
Where can I buy N-benzyl-3-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)p?
You can request a quote for N-benzyl-3-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)p directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-benzyl-3-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)p?
Yes, KEHONG BIO provides custom synthesis services for N-benzyl-3-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)p and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.