Direct Black 75 free acid
TL;DR: Direct Black 75 free acid (CAS 25254-99-3) is a chemical compound with molecular formula C50H32N8O17S5 and molecular weight 1176.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[4-[[4-[[1-hydroxy-7-[(2-hydroxy-6-sulfonaphthalen-1-yl)diazenyl]-3-sulfonaphthalen-2-yl]diazenyl]-6-sulfonaphthalen-1-yl]diazenyl]naphthalen-1-yl]diazenyl]naphthalene-1,5-disulfonic acid
Also Known As: Direct Black 75 free acid, C.i. direct Black 75 (free acid), 1,5-Naphthalenedisulfonic acid, 3-((4-((4-((1-hydroxy-7-((2-hydroxy-6-sulfo-1-naphthalenyl)azo)-3-sulfo-1-naphthalenyl)azo)-6-sulfo-1-naphthalenyl)azo)-1-naphthalenyl)azo)-, 1,5-Naphthalenedisulfonic acid, 3-(2-(4-(2-(4-(2-(1-hydroxy-7-(2-(2-hydroxy-6-sulfo-1-naphthalenyl)diazenyl)-3-sulfo-2-naphthalenyl)diazenyl)-6-sulfo-1-naphthalenyl)diazenyl)-1-naphthalenyl)diazenyl)-, 3-[2-[4-[2-[4-[2-[1-Hydroxy-7-[2-(2-hydroxy-6-sulfo-1-naphthalenyl)diazenyl]-3-sulfo-2-naphthalenyl]diazenyl]-6-sulfo-1-naphthalenyl]diazenyl]-1-naphthalenyl]diazenyl]-1,5-naphthalenedisulfonic acid
| Molecular Formula | C50H32N8O17S5 |
|---|---|
| Molecular Weight | 1176.05 g/mol |
| LogP | 12.7589 |
| Topological Polar Surface Area | 411.19 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 20 |
| Rotatable Bonds | 13 |
| Exact Mass | 1176.049 |
| Heavy Atoms | 80 |
| Complexity | 5080.496 |
Chemical Identifiers
| CAS Number | 25254-99-3 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=CC=C2N=NC3=CC4=C(C=CC=C4S(=O)(=O)O)C(=C3)S(=O)(=O)O)N=NC5=C6C=CC(=CC6=C(C=C5)N=NC7=C(C=C8C=CC(=CC8=C7O)N=NC9=C(C=CC1=C9C=CC(=C1)S(=O)(=O)O)O)S(=O)(=O)O)S(=O)(=O)O |
Product Overview
Direct Black 75 free acid (CAS 25254-99-3), with molecular formula C50H32N8O17S5 and molecular weight 1176.05 g/mol. IUPAC: 3-[[4-[[4-[[1-hydroxy-7-[(2-hydroxy-6-sulfonaphthalen-1-yl)diazenyl]-3-sulfonaphthalen-2-yl]diazenyl]-6-sulfonaphthalen-1-yl]diazenyl]naphthalen-1-yl]diazenyl]naphthalene-1,5-disulfonic acid.
Chemical Property Profile of Direct Black 75 free acid
Property Insights of Direct Black 75 free acid
The XLogP value of 12.7589 indicates that Direct Black 75 free acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 411.19 Ų indicates high polarity, suggesting Direct Black 75 free acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Direct Black 75 free acid has 7 hydrogen bond donor(s) and 20 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Direct Black 75 free acid?
The CAS number of Direct Black 75 free acid is 25254-99-3.
What is the molecular formula of Direct Black 75 free acid?
The molecular formula of Direct Black 75 free acid is C50H32N8O17S5.
What is the molecular weight of Direct Black 75 free acid?
The molecular weight of Direct Black 75 free acid is 1176.05 g/mol.
Where can I buy Direct Black 75 free acid?
You can request a quote for Direct Black 75 free acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Direct Black 75 free acid?
Yes, KEHONG BIO provides custom synthesis services for Direct Black 75 free acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.