3-(2,6-Diamino-4-hydroxy-3-pyridylazo)-2,4,6-triiodobenzoic acid
TL;DR: 3-(2,6-Diamino-4-hydroxy-3-pyridylazo)-2,4,6-triiodobenzoic acid (CAS 99970-78-2) is a chemical compound with molecular formula C12H8I3N5O3 and molecular weight 650.78 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(2,6-diamino-4-oxo-1H-pyridin-3-yl)diazenyl]-2,4,6-triiodobenzoic acid
Also Known As: 3-(2,6-Diamino-4-hydroxy-3-pyridylazo)-2,4,6-triiodobenzoic acid, 2,4,6-Triiodo-3-(2,6-diamino-4-hydroxypyridylazo)benzoic acid, BENZOIC ACID, 3-(2,6-DIAMINO-4-HYDROXY-3-PYRIDYLAZO)-2,4,6-TRIIODO-, BRN 0501153
| Molecular Formula | C12H8I3N5O3 |
|---|---|
| Molecular Weight | 650.78 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 143.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 650.7761 |
| Heavy Atoms | 23 |
| Complexity | 621.0 |
Chemical Identifiers
| CAS Number | 99970-78-2 |
|---|---|
| SMILES | C1=C(C(=C(C(=C1I)N=NC2=C(NC(=CC2=O)N)N)I)C(=O)O)I |
| InChIKey | YWLBBCDGLUBCMB-UHFFFAOYSA-N |
Product Overview
3-(2,6-Diamino-4-hydroxy-3-pyridylazo)-2,4,6-triiodobenzoic acid (CAS 99970-78-2), with molecular formula C12H8I3N5O3 and molecular weight 650.78 g/mol. IUPAC: 3-[(2,6-diamino-4-oxo-1H-pyridin-3-yl)diazenyl]-2,4,6-triiodobenzoic acid.
Chemical Property Profile of 3-(2,6-Diamino-4-hydroxy-3-pyridylazo)-2,4,6-triiodobenzoic acid
Property Insights of 3-(2,6-Diamino-4-hydroxy-3-pyridylazo)-2,4,6-triiodobenzoic acid
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2,6-Diamino-4-hydroxy-3-pyridylazo)-2,4,6-triiodobenzoic acid. The TPSA of 143.0 Ų indicates high polarity, suggesting 3-(2,6-Diamino-4-hydroxy-3-pyridylazo)-2,4,6-triiodobenzoic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3-(2,6-Diamino-4-hydroxy-3-pyridylazo)-2,4,6-triiodobenzoic acid has 4 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-(2,6-Diamino-4-hydroxy-3-pyridylazo)-2,4,6-triiodobenzoic acid?
The CAS number of 3-(2,6-Diamino-4-hydroxy-3-pyridylazo)-2,4,6-triiodobenzoic acid is 99970-78-2.
What is the molecular formula of 3-(2,6-Diamino-4-hydroxy-3-pyridylazo)-2,4,6-triiodobenzoic acid?
The molecular formula of 3-(2,6-Diamino-4-hydroxy-3-pyridylazo)-2,4,6-triiodobenzoic acid is C12H8I3N5O3.
What is the molecular weight of 3-(2,6-Diamino-4-hydroxy-3-pyridylazo)-2,4,6-triiodobenzoic acid?
The molecular weight of 3-(2,6-Diamino-4-hydroxy-3-pyridylazo)-2,4,6-triiodobenzoic acid is 650.78 g/mol.
Where can I buy 3-(2,6-Diamino-4-hydroxy-3-pyridylazo)-2,4,6-triiodobenzoic acid?
You can request a quote for 3-(2,6-Diamino-4-hydroxy-3-pyridylazo)-2,4,6-triiodobenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2,6-Diamino-4-hydroxy-3-pyridylazo)-2,4,6-triiodobenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(2,6-Diamino-4-hydroxy-3-pyridylazo)-2,4,6-triiodobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.