AJ-030/12105933
TL;DR: AJ-030/12105933 (CAS 353286-06-3) is a chemical compound with molecular formula C15H16N6O9 and molecular weight 424.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[2-[[2-[5-cyano-6-(ethoxycarbonylcarbamoyl)-2,4-dioxopyrimidin-1-yl]acetyl]amino]acetyl]amino]acetic acid
Also Known As: AJ-030/12105933, 2-[[2-[[2-[5-cyano-6-(ethoxycarbonylcarbamoyl)-2,4-dioxopyrimidin-1-yl]acetyl]amino]acetyl]amino]acetic acid, (2-(5-Cyano-6-((ethoxycarbonyl)carbamoyl)-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetyl)glycylglycine, [({[(5-cyano-6-{[(ethoxycarbonyl)amino]carbonyl}-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)acetyl]amino}acetyl)amino]acetic acid, 2-(2-(2-(5-cyano-6-((ethoxycarbonyl)carbamoyl)-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetamido)acetamido)acetic acid
| Molecular Formula | C15H16N6O9 |
|---|---|
| Molecular Weight | 424.10 g/mol |
| LogP | -3.38842 |
| Topological Polar Surface Area | 229.55 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 424.09787 |
| Heavy Atoms | 30 |
| Complexity | 1032.5089 |
Chemical Identifiers
| CAS Number | 353286-06-3 |
|---|---|
| SMILES | CCOC(=O)NC(=O)C1=C(C(=O)NC(=O)N1CC(=O)NCC(=O)NCC(=O)O)C#N |
Product Overview
AJ-030/12105933 (CAS 353286-06-3), with molecular formula C15H16N6O9 and molecular weight 424.10 g/mol. IUPAC: 2-[[2-[[2-[5-cyano-6-(ethoxycarbonylcarbamoyl)-2,4-dioxopyrimidin-1-yl]acetyl]amino]acetyl]amino]acetic acid.
Chemical Property Profile of AJ-030/12105933
Property Insights of AJ-030/12105933
The XLogP value of -3.38842 indicates that AJ-030/12105933 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 229.55 Ų indicates high polarity, suggesting AJ-030/12105933 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, AJ-030/12105933 has 5 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 AJ-030/12105933?
The CAS number of AJ-030/12105933 is 353286-06-3.
What is the molecular formula of AJ-030/12105933?
The molecular formula of AJ-030/12105933 is C15H16N6O9.
What is the molecular weight of AJ-030/12105933?
The molecular weight of AJ-030/12105933 is 424.10 g/mol.
Where can I buy AJ-030/12105933?
You can request a quote for AJ-030/12105933 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AJ-030/12105933?
Yes, KEHONG BIO provides custom synthesis services for AJ-030/12105933 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.