(4-Amino-6-anilino-1,3,5-triazin-2-yl)methyl 4-nitrobenzoate
TL;DR: (4-Amino-6-anilino-1,3,5-triazin-2-yl)methyl 4-nitrobenzoate (CAS 1002789-86-7) is a chemical compound with molecular formula C17H14N6O4 and molecular weight 366.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 4-nitrobenzoate
Also Known As: TZ9, SMI#9, SMI# 9, (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 4-nitrobenzoate, EX-A11016
| Molecular Formula | C17H14N6O4 |
|---|---|
| Molecular Weight | 366.11 g/mol |
| LogP | 2.4626 |
| Topological Polar Surface Area | 146.16 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 366.10767 |
| Heavy Atoms | 27 |
| Complexity | 962.9175 |
Chemical Identifiers
| CAS Number | 1002789-86-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC2=NC(=NC(=N2)N)COC(=O)C3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
(4-Amino-6-anilino-1,3,5-triazin-2-yl)methyl 4-nitrobenzoate (CAS 1002789-86-7), with molecular formula C17H14N6O4 and molecular weight 366.11 g/mol. IUPAC: (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 4-nitrobenzoate.
Chemical Property Profile of (4-Amino-6-anilino-1,3,5-triazin-2-yl)methyl 4-nitrobenzoate
Property Insights of (4-Amino-6-anilino-1,3,5-triazin-2-yl)methyl 4-nitrobenzoate
The XLogP value of 2.4626 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4-Amino-6-anilino-1,3,5-triazin-2-yl)methyl 4-nitrobenzoate. The TPSA of 146.16 Ų indicates high polarity, suggesting (4-Amino-6-anilino-1,3,5-triazin-2-yl)methyl 4-nitrobenzoate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (4-Amino-6-anilino-1,3,5-triazin-2-yl)methyl 4-nitrobenzoate has 2 hydrogen bond donor(s) and 9 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-Amino-6-anilino-1,3,5-triazin-2-yl)methyl 4-nitrobenzoate?
The CAS number of (4-Amino-6-anilino-1,3,5-triazin-2-yl)methyl 4-nitrobenzoate is 1002789-86-7.
What is the molecular formula of (4-Amino-6-anilino-1,3,5-triazin-2-yl)methyl 4-nitrobenzoate?
The molecular formula of (4-Amino-6-anilino-1,3,5-triazin-2-yl)methyl 4-nitrobenzoate is C17H14N6O4.
What is the molecular weight of (4-Amino-6-anilino-1,3,5-triazin-2-yl)methyl 4-nitrobenzoate?
The molecular weight of (4-Amino-6-anilino-1,3,5-triazin-2-yl)methyl 4-nitrobenzoate is 366.11 g/mol.
Where can I buy (4-Amino-6-anilino-1,3,5-triazin-2-yl)methyl 4-nitrobenzoate?
You can request a quote for (4-Amino-6-anilino-1,3,5-triazin-2-yl)methyl 4-nitrobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-Amino-6-anilino-1,3,5-triazin-2-yl)methyl 4-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for (4-Amino-6-anilino-1,3,5-triazin-2-yl)methyl 4-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.