Brown HT
TL;DR: Brown HT (CAS 4553-89-3) is a chemical compound with molecular formula C27H18N4Na2O9S2 and molecular weight 652.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
disodium;4-[2-[3-(hydroxymethyl)-4,6-dioxo-5-[(4-sulfonatonaphthalen-1-yl)hydrazinylidene]cyclohex-2-en-1-ylidene]hydrazinyl]naphthalene-1-sulfonate
Also Known As: Brown HT, Chocolate brown HT, CIFOODBROWN3, Chocolate Brown HT (Technical Grade), Disodium 4,4'-[[2,4-dihydroxy-5-(hydroxymethyl)-1,3-phenylene]bis(azo)]bisnaphthalene-1-sulphonate
| Molecular Formula | C27H18N4Na2O9S2 |
|---|---|
| Molecular Weight | 652.03 g/mol |
| LogP | -5.25 |
| Topological Polar Surface Area | 234.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 5 |
| Exact Mass | 652.03107 |
| Heavy Atoms | 44 |
| Complexity | 1350.0 |
Chemical Identifiers
| CAS Number | 4553-89-3 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=CC=C2S(=O)(=O)[O-])NN=C3C=C(C(=O)C(=NNC4=CC=C(C5=CC=CC=C54)S(=O)(=O)[O-])C3=O)CO.[Na+].[Na+] |
| InChIKey | TUQJHVRCALPCHU-UHFFFAOYSA-L |
Product Overview
Brown HT (CAS 4553-89-3), with molecular formula C27H18N4Na2O9S2 and molecular weight 652.03 g/mol. IUPAC: disodium;4-[2-[3-(hydroxymethyl)-4,6-dioxo-5-[(4-sulfonatonaphthalen-1-yl)hydrazinylidene]cyclohex-2-en-1-ylidene]hydrazinyl]naphthalene-1-sulfonate.
Chemical Property Profile of Brown HT
Property Insights of Brown HT
The XLogP value of -5.25 indicates that Brown HT is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 234.0 Ų indicates high polarity, suggesting Brown HT may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Brown HT has 3 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Brown HT?
The CAS number of Brown HT is 4553-89-3.
What is the molecular formula of Brown HT?
The molecular formula of Brown HT is C27H18N4Na2O9S2.
What is the molecular weight of Brown HT?
The molecular weight of Brown HT is 652.03 g/mol.
Where can I buy Brown HT?
You can request a quote for Brown HT directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Brown HT?
Yes, KEHONG BIO provides custom synthesis services for Brown HT and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.