Food black 1
TL;DR: Food black 1 (CAS 13699-36-0) is a chemical compound with molecular formula C28H21N5O14S4 and molecular weight 779.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-acetamido-5-hydroxy-6-[[7-sulfo-4-[(4-sulfophenyl)diazenyl]naphthalen-1-yl]diazenyl]naphthalene-1,7-disulfonic acid
Also Known As: Brilliant Black BN, Black PN, Brilliant Black, Black BN, Blue Black BN
| Molecular Formula | C28H21N5O14S4 |
|---|---|
| Molecular Weight | 779.00 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 350.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 9 |
| Exact Mass | 778.99677 |
| Heavy Atoms | 51 |
| Complexity | 1780.0 |
Chemical Identifiers
| CAS Number | 13699-36-0 |
|---|---|
| SMILES | CC(=O)NC1=C2C(=C(C=C1)S(=O)(=O)O)C=C(C(=C2O)N=NC3=C4C=C(C=CC4=C(C=C3)N=NC5=CC=C(C=C5)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O |
| InChIKey | RXERRVKLABZRCU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Food black 1 (CAS 13699-36-0), with molecular formula C28H21N5O14S4 and molecular weight 779.00 g/mol. IUPAC: 4-acetamido-5-hydroxy-6-[[7-sulfo-4-[(4-sulfophenyl)diazenyl]naphthalen-1-yl]diazenyl]naphthalene-1,7-disulfonic acid.
Chemical Property Profile of Food black 1
Property Insights of Food black 1
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Food black 1. The TPSA of 350.0 Ų indicates high polarity, suggesting Food black 1 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Food black 1 has 6 hydrogen bond donor(s) and 18 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Food black 1?
The CAS number of Food black 1 is 13699-36-0.
What is the molecular formula of Food black 1?
The molecular formula of Food black 1 is C28H21N5O14S4.
What is the molecular weight of Food black 1?
The molecular weight of Food black 1 is 779.00 g/mol.
Where can I buy Food black 1?
You can request a quote for Food black 1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Food black 1?
Yes, KEHONG BIO provides custom synthesis services for Food black 1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.