![ethyl 4-[[3-[(2,6-diamino-5-nitropyrimidin-4-yl)amino]-2-oxopropyl]amino]benzoate structure](/static/products/2385/23853-05-6.webp)
ethyl 4-[[3-[(2,6-diamino-5-nitropyrimidin-4-yl)amino]-2-oxopropyl]amino]benzoate
TL;DR: ethyl 4-[[3-[(2,6-diamino-5-nitropyrimidin-4-yl)amino]-2-oxopropyl]amino]benzoate (CAS 23853-05-6) is a chemical compound with molecular formula C16H19N7O5 and molecular weight 389.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[3-[(2,6-diamino-5-nitropyrimidin-4-yl)amino]-2-oxopropyl]amino]benzoate
Also Known As: ethyl 4-[[3-[(2,6-diamino-5-nitropyrimidin-4-yl)amino]-2-oxopropyl]amino]benzoate, Benzoic acid,4-[[3-amino-2-(hydroxyimino)propyl]methylamino]-,methyl ester, Ethyl 4-({3-[(2,6-diamino-5-nitropyrimidin-4-yl)amino]-2-oxopropyl}amino)benzoate, Benzoic acid,4-[[3-[(2,6-diamino-5-nitro-4-pyrimidinyl)amino]-2-oxopropyl]amino]-, ethylester, hydrochloride (1:1)
| Molecular Formula | C16H19N7O5 |
|---|---|
| Molecular Weight | 389.14 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 191.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 9 |
| Exact Mass | 389.14478 |
| Heavy Atoms | 28 |
| Complexity | 550.0 |
Chemical Identifiers
| CAS Number | 23853-05-6 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NCC(=O)CNC2=NC(=NC(=C2[N+](=O)[O-])N)N |
| InChIKey | XTEZYLDTDVBWDS-UHFFFAOYSA-N |
Product Overview
ethyl 4-[[3-[(2,6-diamino-5-nitropyrimidin-4-yl)amino]-2-oxopropyl]amino]benzoate (CAS 23853-05-6), with molecular formula C16H19N7O5 and molecular weight 389.14 g/mol. IUPAC: ethyl 4-[[3-[(2,6-diamino-5-nitropyrimidin-4-yl)amino]-2-oxopropyl]amino]benzoate.
Chemical Property Profile of ethyl 4-[[3-[(2,6-diamino-5-nitropyrimidin-4-yl)amino]-2-oxopropyl]amino]benzoate
Property Insights of ethyl 4-[[3-[(2,6-diamino-5-nitropyrimidin-4-yl)amino]-2-oxopropyl]amino]benzoate
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 4-[[3-[(2,6-diamino-5-nitropyrimidin-4-yl)amino]-2-oxopropyl]amino]benzoate. The TPSA of 191.0 Ų indicates high polarity, suggesting ethyl 4-[[3-[(2,6-diamino-5-nitropyrimidin-4-yl)amino]-2-oxopropyl]amino]benzoate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, ethyl 4-[[3-[(2,6-diamino-5-nitropyrimidin-4-yl)amino]-2-oxopropyl]amino]benzoate has 4 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ethyl 4-[[3-[(2,6-diamino-5-nitropyrimidin-4-yl)amino]-2-oxopropyl]amino]benzoate?
The CAS number of ethyl 4-[[3-[(2,6-diamino-5-nitropyrimidin-4-yl)amino]-2-oxopropyl]amino]benzoate is 23853-05-6.
What is the molecular formula of ethyl 4-[[3-[(2,6-diamino-5-nitropyrimidin-4-yl)amino]-2-oxopropyl]amino]benzoate?
The molecular formula of ethyl 4-[[3-[(2,6-diamino-5-nitropyrimidin-4-yl)amino]-2-oxopropyl]amino]benzoate is C16H19N7O5.
What is the molecular weight of ethyl 4-[[3-[(2,6-diamino-5-nitropyrimidin-4-yl)amino]-2-oxopropyl]amino]benzoate?
The molecular weight of ethyl 4-[[3-[(2,6-diamino-5-nitropyrimidin-4-yl)amino]-2-oxopropyl]amino]benzoate is 389.14 g/mol.
Where can I buy ethyl 4-[[3-[(2,6-diamino-5-nitropyrimidin-4-yl)amino]-2-oxopropyl]amino]benzoate?
You can request a quote for ethyl 4-[[3-[(2,6-diamino-5-nitropyrimidin-4-yl)amino]-2-oxopropyl]amino]benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 4-[[3-[(2,6-diamino-5-nitropyrimidin-4-yl)amino]-2-oxopropyl]amino]benzoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-[[3-[(2,6-diamino-5-nitropyrimidin-4-yl)amino]-2-oxopropyl]amino]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.