n-(6-Amino-5-nitropyrimidin-4-yl)aspartic acid
TL;DR: n-(6-Amino-5-nitropyrimidin-4-yl)aspartic acid (CAS 89699-33-2) is a chemical compound with molecular formula C8H9N5O6 and molecular weight 271.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(6-amino-5-nitropyrimidin-4-yl)amino]butanedioic acid
Also Known As: n-(6-amino-5-nitropyrimidin-4-yl)aspartic acid, 2-[(6-amino-5-nitro-pyrimidin-4-yl)amino]butanedioic acid, 2-[(6-amino-5-nitropyrimidin-4-yl)amino]butanedioic acid
| Molecular Formula | C8H9N5O6 |
|---|---|
| Molecular Weight | 271.06 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 184.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 5 |
| Exact Mass | 271.0553 |
| Heavy Atoms | 19 |
| Complexity | 371.0 |
Chemical Identifiers
| CAS Number | 89699-33-2 |
|---|---|
| SMILES | C1=NC(=C(C(=N1)NC(CC(=O)O)C(=O)O)[N+](=O)[O-])N |
| InChIKey | QNYLBLXBEKKYIZ-UHFFFAOYSA-N |
Product Overview
n-(6-Amino-5-nitropyrimidin-4-yl)aspartic acid (CAS 89699-33-2), with molecular formula C8H9N5O6 and molecular weight 271.06 g/mol. IUPAC: 2-[(6-amino-5-nitropyrimidin-4-yl)amino]butanedioic acid.
Chemical Property Profile of n-(6-Amino-5-nitropyrimidin-4-yl)aspartic acid
Property Insights of n-(6-Amino-5-nitropyrimidin-4-yl)aspartic acid
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for n-(6-Amino-5-nitropyrimidin-4-yl)aspartic acid. The TPSA of 184.0 Ų indicates high polarity, suggesting n-(6-Amino-5-nitropyrimidin-4-yl)aspartic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, n-(6-Amino-5-nitropyrimidin-4-yl)aspartic acid has 4 hydrogen bond donor(s) and 10 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 n-(6-Amino-5-nitropyrimidin-4-yl)aspartic acid?
The CAS number of n-(6-Amino-5-nitropyrimidin-4-yl)aspartic acid is 89699-33-2.
What is the molecular formula of n-(6-Amino-5-nitropyrimidin-4-yl)aspartic acid?
The molecular formula of n-(6-Amino-5-nitropyrimidin-4-yl)aspartic acid is C8H9N5O6.
What is the molecular weight of n-(6-Amino-5-nitropyrimidin-4-yl)aspartic acid?
The molecular weight of n-(6-Amino-5-nitropyrimidin-4-yl)aspartic acid is 271.06 g/mol.
Where can I buy n-(6-Amino-5-nitropyrimidin-4-yl)aspartic acid?
You can request a quote for n-(6-Amino-5-nitropyrimidin-4-yl)aspartic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for n-(6-Amino-5-nitropyrimidin-4-yl)aspartic acid?
Yes, KEHONG BIO provides custom synthesis services for n-(6-Amino-5-nitropyrimidin-4-yl)aspartic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.