![methyl 4-[[(2Z)-3-[(2,6-diamino-5-nitropyrimidin-4-yl)amino] structure](/static/products/2385/23853-04-5.webp)
methyl 4-[[(2Z)-3-[(2,6-diamino-5-nitropyrimidin-4-yl)amino]
TL;DR: methyl 4-[[(2Z)-3-[(2,6-diamino-5-nitropyrimidin-4-yl)amino] (CAS 23853-04-5) is a chemical compound with molecular formula C16H20N8O5 and molecular weight 404.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[[3-[(2,6-diamino-5-nitropyrimidin-4-yl)amino]-2-hydroxyiminopropyl]-methylamino]benzoate
Also Known As: methyl 4-[[(2Z)-3-[(2,6-diamino-5-nitropyrimidin-4-yl)amino], methyl 4-[[3-[(2,6-diamino-5-nitropyrimidin-4-yl)amino]-2-hydroxyiminopropyl]-methylamino]benzoate, methyl 4-[{3-[(2,6-diamino-5-nitropyrimidin-4-yl)amino]-2-(hydroxyimino)propyl}(methyl)amino]benzoate
| Molecular Formula | C16H20N8O5 |
|---|---|
| Molecular Weight | 404.16 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 198.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 8 |
| Exact Mass | 404.15567 |
| Heavy Atoms | 29 |
| Complexity | 592.0 |
Chemical Identifiers
| CAS Number | 23853-04-5 |
|---|---|
| SMILES | CN(CC(=NO)CNC1=NC(=NC(=C1[N+](=O)[O-])N)N)C2=CC=C(C=C2)C(=O)OC |
| InChIKey | BPCPCYZUPUAIBY-UHFFFAOYSA-N |
Product Overview
methyl 4-[[(2Z)-3-[(2,6-diamino-5-nitropyrimidin-4-yl)amino] (CAS 23853-04-5), with molecular formula C16H20N8O5 and molecular weight 404.16 g/mol. IUPAC: methyl 4-[[3-[(2,6-diamino-5-nitropyrimidin-4-yl)amino]-2-hydroxyiminopropyl]-methylamino]benzoate.
Chemical Property Profile of methyl 4-[[(2Z)-3-[(2,6-diamino-5-nitropyrimidin-4-yl)amino]
Property Insights of methyl 4-[[(2Z)-3-[(2,6-diamino-5-nitropyrimidin-4-yl)amino]
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 4-[[(2Z)-3-[(2,6-diamino-5-nitropyrimidin-4-yl)amino]. The TPSA of 198.0 Ų indicates high polarity, suggesting methyl 4-[[(2Z)-3-[(2,6-diamino-5-nitropyrimidin-4-yl)amino] may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, methyl 4-[[(2Z)-3-[(2,6-diamino-5-nitropyrimidin-4-yl)amino] has 4 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of methyl 4-[[(2Z)-3-[(2,6-diamino-5-nitropyrimidin-4-yl)amino]?
The CAS number of methyl 4-[[(2Z)-3-[(2,6-diamino-5-nitropyrimidin-4-yl)amino] is 23853-04-5.
What is the molecular formula of methyl 4-[[(2Z)-3-[(2,6-diamino-5-nitropyrimidin-4-yl)amino]?
The molecular formula of methyl 4-[[(2Z)-3-[(2,6-diamino-5-nitropyrimidin-4-yl)amino] is C16H20N8O5.
What is the molecular weight of methyl 4-[[(2Z)-3-[(2,6-diamino-5-nitropyrimidin-4-yl)amino]?
The molecular weight of methyl 4-[[(2Z)-3-[(2,6-diamino-5-nitropyrimidin-4-yl)amino] is 404.16 g/mol.
Where can I buy methyl 4-[[(2Z)-3-[(2,6-diamino-5-nitropyrimidin-4-yl)amino]?
You can request a quote for methyl 4-[[(2Z)-3-[(2,6-diamino-5-nitropyrimidin-4-yl)amino] directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 4-[[(2Z)-3-[(2,6-diamino-5-nitropyrimidin-4-yl)amino]?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-[[(2Z)-3-[(2,6-diamino-5-nitropyrimidin-4-yl)amino] and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.