1,1'-Dimethylpurpurate-3,3'-diacetic acid
TL;DR: 1,1'-Dimethylpurpurate-3,3'-diacetic acid (CAS 124433-73-4) is a chemical compound with molecular formula C14H13N5O10 and molecular weight 411.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[5-[[1-(carboxymethyl)-3-methyl-2,4,6-trioxo-1,3-diazinan-5-ylidene]amino]-3-methyl-2,4,6-trioxo-1,3-diazinan-1-yl]acetic acid
Also Known As: Dmpdaa, 1,1'-Dimethylpurpurate-3,3'-diacetic acid, 2-[5-[[1-(carboxymethyl)-3-methyl-2,4,6-trioxo-1,3-diazinan-5-ylidene]amino]-3-methyl-2,4,6-trioxo-1,3-diazinan-1-yl]acetic acid, 1(2H)-Pyrimidineacetic acid, 5-((1-(carboxymethyl)hexahydro-3-methyl-2,4,6-trioxo-5-pyrimidinyl)imino)tetrahydro-3-methyl-2,4,6-trioxo-
| Molecular Formula | C14H13N5O10 |
|---|---|
| Molecular Weight | 411.07 g/mol |
| LogP | -2.1 |
| Topological Polar Surface Area | 202.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 5 |
| Exact Mass | 411.06625 |
| Heavy Atoms | 29 |
| Complexity | 908.0 |
Chemical Identifiers
| CAS Number | 124433-73-4 |
|---|---|
| SMILES | CN1C(=O)C(C(=O)N(C1=O)CC(=O)O)N=C2C(=O)N(C(=O)N(C2=O)CC(=O)O)C |
| InChIKey | PLNXXHPIACXIGG-UHFFFAOYSA-N |
Product Overview
1,1'-Dimethylpurpurate-3,3'-diacetic acid (CAS 124433-73-4), with molecular formula C14H13N5O10 and molecular weight 411.07 g/mol. IUPAC: 2-[5-[[1-(carboxymethyl)-3-methyl-2,4,6-trioxo-1,3-diazinan-5-ylidene]amino]-3-methyl-2,4,6-trioxo-1,3-diazinan-1-yl]acetic acid.
Chemical Property Profile of 1,1'-Dimethylpurpurate-3,3'-diacetic acid
Property Insights of 1,1'-Dimethylpurpurate-3,3'-diacetic acid
The XLogP value of -2.1 indicates that 1,1'-Dimethylpurpurate-3,3'-diacetic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 202.0 Ų indicates high polarity, suggesting 1,1'-Dimethylpurpurate-3,3'-diacetic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1,1'-Dimethylpurpurate-3,3'-diacetic acid has 2 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 1,1'-Dimethylpurpurate-3,3'-diacetic acid?
The CAS number of 1,1'-Dimethylpurpurate-3,3'-diacetic acid is 124433-73-4.
What is the molecular formula of 1,1'-Dimethylpurpurate-3,3'-diacetic acid?
The molecular formula of 1,1'-Dimethylpurpurate-3,3'-diacetic acid is C14H13N5O10.
What is the molecular weight of 1,1'-Dimethylpurpurate-3,3'-diacetic acid?
The molecular weight of 1,1'-Dimethylpurpurate-3,3'-diacetic acid is 411.07 g/mol.
Where can I buy 1,1'-Dimethylpurpurate-3,3'-diacetic acid?
You can request a quote for 1,1'-Dimethylpurpurate-3,3'-diacetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1'-Dimethylpurpurate-3,3'-diacetic acid?
Yes, KEHONG BIO provides custom synthesis services for 1,1'-Dimethylpurpurate-3,3'-diacetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.