2-aminoiophthalic acid
TL;DR: 2-aminoiophthalic acid (CAS 397245-00-0) is a chemical compound with molecular formula C32H26BaN8O8S2 and molecular weight 852.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
barium(2+);bis(4-(3-methyl-5-oxo-4-phenyldiazenyl-4H-pyrazol-1-yl)benzenesulfonate)
Also Known As: 2-aminoiophthalic acid, C16H14N4O4S.1/2Ba, C16-H14-N4-O4-S.1/2Ba, Barium bis(p-(4,5-dihydro-3-methyl-5-oxo-4-(phenylazo)-1H-pyrazol-1-yl)benzenesulphonate), Benzenesulfonic acid, 4-(4,5-dihydro-3-methyl-5-oxo-4-(2-phenyldiazenyl)-1H-pyrazol-1-yl)-, barium salt (2:1)
| Molecular Formula | C32H26BaN8O8S2 |
|---|---|
| Molecular Weight | 852.04 g/mol |
| LogP | 4.5506 |
| Topological Polar Surface Area | 246.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 6 |
| Exact Mass | 852.03674 |
| Heavy Atoms | 51 |
| Complexity | 643.0 |
Chemical Identifiers
| CAS Number | 397245-00-0 |
|---|---|
| SMILES | CC1=NN(C(=O)C1N=NC2=CC=CC=C2)C3=CC=C(C=C3)S(=O)(=O)[O-].CC1=NN(C(=O)C1N=NC2=CC=CC=C2)C3=CC=C(C=C3)S(=O)(=O)[O-].[Ba+2] |
| InChIKey | UEDMVTUCTFQATH-UHFFFAOYSA-L |
Product Overview
2-aminoiophthalic acid (CAS 397245-00-0), with molecular formula C32H26BaN8O8S2 and molecular weight 852.04 g/mol. IUPAC: barium(2+);bis(4-(3-methyl-5-oxo-4-phenyldiazenyl-4H-pyrazol-1-yl)benzenesulfonate).
Chemical Property Profile of 2-aminoiophthalic acid
Property Insights of 2-aminoiophthalic acid
The XLogP value of 4.5506 indicates that 2-aminoiophthalic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 246.0 Ų indicates high polarity, suggesting 2-aminoiophthalic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-aminoiophthalic acid has 0 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-aminoiophthalic acid?
The CAS number of 2-aminoiophthalic acid is 397245-00-0.
What is the molecular formula of 2-aminoiophthalic acid?
The molecular formula of 2-aminoiophthalic acid is C32H26BaN8O8S2.
What is the molecular weight of 2-aminoiophthalic acid?
The molecular weight of 2-aminoiophthalic acid is 852.04 g/mol.
Where can I buy 2-aminoiophthalic acid?
You can request a quote for 2-aminoiophthalic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-aminoiophthalic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-aminoiophthalic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.