PDAA
TL;DR: PDAA (CAS 123533-63-1) is a chemical compound with molecular formula C12H9N5O10 and molecular weight 383.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[5-[[1-(carboxymethyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]amino]-2,4,6-trioxo-1,3-diazinan-1-yl]acetic acid
Also Known As: PDAA, Purpurate-3,3'-diacetic acid, 2-[5-[[1-(carboxymethyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]amino]-2,4,6-trioxo-1,3-diazinan-1-yl]acetic acid, 1(2H)-Pyrimidineacetic acid, 5-((1-(carboxymethyl)hexahydro-2,4,6-trioxo-5-pyrimidinyl)imino)tetrahydro-2,4,6-trioxo-
| Molecular Formula | C12H9N5O10 |
|---|---|
| Molecular Weight | 383.03 g/mol |
| LogP | -2.4 |
| Topological Polar Surface Area | 220.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 5 |
| Exact Mass | 383.03494 |
| Heavy Atoms | 27 |
| Complexity | 846.0 |
Chemical Identifiers
| CAS Number | 123533-63-1 |
|---|---|
| SMILES | C(C(=O)O)N1C(=O)C(C(=O)NC1=O)N=C2C(=O)NC(=O)N(C2=O)CC(=O)O |
| InChIKey | KQMNFORLTALWHP-UHFFFAOYSA-N |
Product Overview
PDAA (CAS 123533-63-1), with molecular formula C12H9N5O10 and molecular weight 383.03 g/mol. IUPAC: 2-[5-[[1-(carboxymethyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]amino]-2,4,6-trioxo-1,3-diazinan-1-yl]acetic acid.
Chemical Property Profile of PDAA
Property Insights of PDAA
The XLogP value of -2.4 indicates that PDAA is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 220.0 Ų indicates high polarity, suggesting PDAA may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, PDAA 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 PDAA?
The CAS number of PDAA is 123533-63-1.
What is the molecular formula of PDAA?
The molecular formula of PDAA is C12H9N5O10.
What is the molecular weight of PDAA?
The molecular weight of PDAA is 383.03 g/mol.
Where can I buy PDAA?
You can request a quote for PDAA directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for PDAA?
Yes, KEHONG BIO provides custom synthesis services for PDAA and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.