Indigotine P free acid
TL;DR: Indigotine P free acid (CAS 25180-62-5) is a chemical compound with molecular formula C16H10N2O14S4 and molecular weight 581.90 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-hydroxy-5,7-disulfo-1H-indol-2-yl)-3-oxoindole-5,7-disulfonic acid
Also Known As: Indigotine P free acid, Indigo-5,5',7,7'-tetrasulfonic acid, J1.126.671A, delta2,2 -Bi[3-oxoindoline-5,7-disulfonic acid], delta2,2 -Bi[3-oxo-1H-indole-5,7-disulfonic acid]
| Molecular Formula | C16H10N2O14S4 |
|---|---|
| Molecular Weight | 581.90 g/mol |
| LogP | 0.1774 |
| Topological Polar Surface Area | 282.93 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 5 |
| Exact Mass | 581.9015 |
| Heavy Atoms | 36 |
| Complexity | 2001.6343 |
Chemical Identifiers
| CAS Number | 25180-62-5 |
|---|---|
| SMILES | C1=C(C=C(C2=C1C(=C(N2)C3=NC4=C(C3=O)C=C(C=C4S(=O)(=O)O)S(=O)(=O)O)O)S(=O)(=O)O)S(=O)(=O)O |
Product Overview
Indigotine P free acid (CAS 25180-62-5), with molecular formula C16H10N2O14S4 and molecular weight 581.90 g/mol. IUPAC: 2-(3-hydroxy-5,7-disulfo-1H-indol-2-yl)-3-oxoindole-5,7-disulfonic acid.
Chemical Property Profile of Indigotine P free acid
Property Insights of Indigotine P free acid
The XLogP value of 0.1774 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Indigotine P free acid. The TPSA of 282.93 Ų indicates high polarity, suggesting Indigotine P free acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Indigotine P free acid has 6 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 Indigotine P free acid?
The CAS number of Indigotine P free acid is 25180-62-5.
What is the molecular formula of Indigotine P free acid?
The molecular formula of Indigotine P free acid is C16H10N2O14S4.
What is the molecular weight of Indigotine P free acid?
The molecular weight of Indigotine P free acid is 581.90 g/mol.
Where can I buy Indigotine P free acid?
You can request a quote for Indigotine P free acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Indigotine P free acid?
Yes, KEHONG BIO provides custom synthesis services for Indigotine P free acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.