RefChem:434777
TL;DR: RefChem:434777 (CAS 68400-32-8) is a chemical compound with molecular formula C36H26N8O12S and molecular weight 794.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(4-[(3-carboxy-4-hydroxyphenyl)diazenyl]-2-methoxynaphthalene-1-diazonium);sulfate
Also Known As: C18H13N4O4.1/2O4S, C18-H13-N4-O4.1/2O4-S, 1-Naphthalenediazonium, 4-((3-carboxy-4-hydroxyphenyl)azo)-2-methoxy-, sulfate (2:1) (salt), 1-Naphthalenediazonium, 4-[(3-carboxy-4-hydroxyphenyl)azo]-2-methoxy-, sulfate (2:1) (salt), 1-Naphthalenediazonium, 4-(2-(3-carboxy-4-hydroxyphenyl)diazenyl)-2-methoxy-, sulfate (2:1)
| Molecular Formula | C36H26N8O12S |
|---|---|
| Molecular Weight | 794.14 g/mol |
| LogP | 8.97 |
| Topological Polar Surface Area | 328.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 8 |
| Exact Mass | 794.1391 |
| Heavy Atoms | 57 |
| Complexity | 651.0 |
Chemical Identifiers
| CAS Number | 68400-32-8 |
|---|---|
| SMILES | COC1=C(C2=CC=CC=C2C(=C1)N=NC3=CC(=C(C=C3)O)C(=O)O)[N+]#N.COC1=C(C2=CC=CC=C2C(=C1)N=NC3=CC(=C(C=C3)O)C(=O)O)[N+]#N.[O-]S(=O)(=O)[O-] |
| InChIKey | PBYLPYDNZFJAQH-UHFFFAOYSA-N |
Product Overview
RefChem:434777 (CAS 68400-32-8), with molecular formula C36H26N8O12S and molecular weight 794.14 g/mol. IUPAC: bis(4-[(3-carboxy-4-hydroxyphenyl)diazenyl]-2-methoxynaphthalene-1-diazonium);sulfate.
Chemical Property Profile of RefChem:434777
Property Insights of RefChem:434777
The XLogP value of 8.97 indicates that RefChem:434777 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 328.0 Ų indicates high polarity, suggesting RefChem:434777 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:434777 has 4 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 RefChem:434777?
The CAS number of RefChem:434777 is 68400-32-8.
What is the molecular formula of RefChem:434777?
The molecular formula of RefChem:434777 is C36H26N8O12S.
What is the molecular weight of RefChem:434777?
The molecular weight of RefChem:434777 is 794.14 g/mol.
Where can I buy RefChem:434777?
You can request a quote for RefChem:434777 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:434777?
Yes, KEHONG BIO provides custom synthesis services for RefChem:434777 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.