EINECS 204-191-3
TL;DR: EINECS 204-191-3 (CAS 117-45-3) is a chemical compound with molecular formula C34H27N5O17S5 and molecular weight 937.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-amino-3-[[4-[[8-(benzenesulfonyloxy)-3,6-disulfonaphthalen-1-yl]diazenyl]-2-methoxy-5-methylphenyl]diazenyl]-4-hydroxynaphthalene-2,7-disulfonic acid
Also Known As: 5-Amino-4-hydroxy-3-((2-methoxy-5-methyl-4-((8-((phenylsulphonyl)oxy)-3,6-disulpho-1-naphthyl)azo)phenyl)azo)naphthalene-2,7-disulphonic acid, 5-amino-3-[[4-[[8-(benzenesulfonyloxy)-3,6-disulfonaphthalen-1-yl]diazenyl]-2-methoxy-5-methylphenyl]diazenyl]-4-hydroxynaphthalene-2,7-disulfonic acid, 5-amino-4-hydroxy-3-[[2-methoxy-5-methyl-4-[[8-[(phenylsulphonyl)oxy]-3,6-disulpho-1-naphthyl]azo]ph, (3e)-5-amino-3-[[2-methoxy-5-methyl-4-(8-phenylsulfonyloxy-3,6-disulfonaphthalen-1-yl)diazenylphenyl]hydrazinylidene]-4-oxonaphthalene-2,7-disulfonic acid, (3E)-5-amino-3-[[4-[[8-(benzenesulfonyloxy)-3,6-disulfonaphthalen-1-yl]diazenyl]-2-methoxy-5-methylphenyl]hydrazinylidene]-4-oxonaphthalene-2,7-disulfonic acid
| Molecular Formula | C34H27N5O17S5 |
|---|---|
| Molecular Weight | 937.00 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 408.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 22 |
| Rotatable Bonds | 12 |
| Exact Mass | 937.00055 |
| Heavy Atoms | 61 |
| Complexity | 2180.0 |
Chemical Identifiers
| CAS Number | 117-45-3 |
|---|---|
| SMILES | CC1=CC(=C(C=C1N=NC2=C3C(=CC(=C2)S(=O)(=O)O)C=C(C=C3OS(=O)(=O)C4=CC=CC=C4)S(=O)(=O)O)OC)N=NC5=C(C6=C(C=C(C=C6C=C5S(=O)(=O)O)S(=O)(=O)O)N)O |
| InChIKey | ZATSCOAQBZUOPT-UHFFFAOYSA-N |
Product Overview
EINECS 204-191-3 (CAS 117-45-3), with molecular formula C34H27N5O17S5 and molecular weight 937.00 g/mol. IUPAC: 5-amino-3-[[4-[[8-(benzenesulfonyloxy)-3,6-disulfonaphthalen-1-yl]diazenyl]-2-methoxy-5-methylphenyl]diazenyl]-4-hydroxynaphthalene-2,7-disulfonic acid.
Chemical Property Profile of EINECS 204-191-3
Property Insights of EINECS 204-191-3
The XLogP value of 3.9 indicates that EINECS 204-191-3 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 408.0 Ų indicates high polarity, suggesting EINECS 204-191-3 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, EINECS 204-191-3 has 6 hydrogen bond donor(s) and 22 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of EINECS 204-191-3?
The CAS number of EINECS 204-191-3 is 117-45-3.
What is the molecular formula of EINECS 204-191-3?
The molecular formula of EINECS 204-191-3 is C34H27N5O17S5.
What is the molecular weight of EINECS 204-191-3?
The molecular weight of EINECS 204-191-3 is 937.00 g/mol.
Where can I buy EINECS 204-191-3?
You can request a quote for EINECS 204-191-3 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 204-191-3?
Yes, KEHONG BIO provides custom synthesis services for EINECS 204-191-3 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.