BRN 5660494
TL;DR: BRN 5660494 (CAS 108098-01-7) is a chemical compound with molecular formula C17H11N5O7 and molecular weight 397.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[2-[(2-hydroxy-5-nitro-1H-indol-3-yl)diazenyl]-2-oxoacetyl]amino]benzoic acid
Also Known As: Benzoic acid, 2-((((1,2-dihydro-5-nitro-2-oxo-3H-indol-3-ylidene)hydrazino)oxoacetyl)amino)-, T0500-4204, 2-((((1,2-Dihydro-5-nitro-2-oxo-3H-indol-3-ylidene)hydrazino)oxoacetyl)amino)benzoic acid, 2-[[2-[(2-hydroxy-5-nitro-1H-indol-3-yl)diazenyl]-2-oxoacetyl]amino]benzoic acid, 2-[[2-[2-(5-nitro-2-oxoindol-3-yl)hydrazinyl]-2-oxoacetyl]amino]benzoic acid
| Molecular Formula | C17H11N5O7 |
|---|---|
| Molecular Weight | 397.07 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 190.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 397.06586 |
| Heavy Atoms | 29 |
| Complexity | 709.0 |
Chemical Identifiers
| CAS Number | 108098-01-7 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)O)NC(=O)C(=O)N=NC2=C(NC3=C2C=C(C=C3)[N+](=O)[O-])O |
| InChIKey | XIOHACRZEYKRON-UHFFFAOYSA-N |
Product Overview
BRN 5660494 (CAS 108098-01-7), with molecular formula C17H11N5O7 and molecular weight 397.07 g/mol. IUPAC: 2-[[2-[(2-hydroxy-5-nitro-1H-indol-3-yl)diazenyl]-2-oxoacetyl]amino]benzoic acid.
Chemical Property Profile of BRN 5660494
Property Insights of BRN 5660494
The XLogP value of 3.2 indicates that BRN 5660494 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 190.0 Ų indicates high polarity, suggesting BRN 5660494 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, BRN 5660494 has 4 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BRN 5660494?
The CAS number of BRN 5660494 is 108098-01-7.
What is the molecular formula of BRN 5660494?
The molecular formula of BRN 5660494 is C17H11N5O7.
What is the molecular weight of BRN 5660494?
The molecular weight of BRN 5660494 is 397.07 g/mol.
Where can I buy BRN 5660494?
You can request a quote for BRN 5660494 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BRN 5660494?
Yes, KEHONG BIO provides custom synthesis services for BRN 5660494 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.