A2112/0088712
TL;DR: A2112/0088712 (CAS 309283-94-1) is a chemical compound with molecular formula C13H18N8O5S and molecular weight 398.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[N-(4,6-dimethylpyrimidin-2-yl)-N'-(1H-1,2,4-triazol-5-ylsulfonyl)carbamimidoyl]amino]oxyacetate
Also Known As: A2112/0088712, ethyl [({(Z)-[(4,6-dimethylpyrimidin-2-yl)amino][(1H-1,2,4-triazol-5-ylsulfonyl)amino]methylidene}amino)oxy]acetate, Ethyl 2-(((((4,6-dimethyl-2-pyrimidinyl)amino)((1H-1,2,4-triazol-5-ylsulfonyl)amino)methylene)amino)oxy)acetate, Ethyl 2-[[[[(4,6-dimethyl-2-pyrimidinyl)amino][(1H-1,2,4-triazol-5-ylsulfonyl)amino]methylene]amino]oxy]acetate, ethyl 2-[[N-(4,6-dimethylpyrimidin-2-yl)-N'-(1H-1,2,4-triazol-5-ylsulfonyl)carbamimidoyl]amino]oxyacetate
| Molecular Formula | C13H18N8O5S |
|---|---|
| Molecular Weight | 398.11 g/mol |
| LogP | -0.54736 |
| Topological Polar Surface Area | 173.44 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 398.1121 |
| Heavy Atoms | 27 |
| Complexity | 892.5411 |
Chemical Identifiers
| CAS Number | 309283-94-1 |
|---|---|
| SMILES | CCOC(=O)CONC(=NS(=O)(=O)C1=NC=NN1)NC2=NC(=CC(=N2)C)C |
Product Overview
A2112/0088712 (CAS 309283-94-1), with molecular formula C13H18N8O5S and molecular weight 398.11 g/mol. IUPAC: ethyl 2-[[N-(4,6-dimethylpyrimidin-2-yl)-N'-(1H-1,2,4-triazol-5-ylsulfonyl)carbamimidoyl]amino]oxyacetate.
Chemical Property Profile of A2112/0088712
Property Insights of A2112/0088712
The XLogP value of -0.54736 indicates that A2112/0088712 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 173.44 Ų indicates high polarity, suggesting A2112/0088712 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, A2112/0088712 has 3 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 A2112/0088712?
The CAS number of A2112/0088712 is 309283-94-1.
What is the molecular formula of A2112/0088712?
The molecular formula of A2112/0088712 is C13H18N8O5S.
What is the molecular weight of A2112/0088712?
The molecular weight of A2112/0088712 is 398.11 g/mol.
Where can I buy A2112/0088712?
You can request a quote for A2112/0088712 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A2112/0088712?
Yes, KEHONG BIO provides custom synthesis services for A2112/0088712 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.