RefChem:411139
TL;DR: RefChem:411139 (CAS 57532-26-0) is a chemical compound with molecular formula C30H22Cl2N6O12 and molecular weight 728.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[1-[2,5-dichloro-4-[[2-[(2,3-dicarboxyphenyl)diazenyl]-3-oxobutanoyl]amino]anilino]-1,3-dioxobutan-2-yl]diazenyl]phthalic acid
Also Known As: 8-Methoxy-2,6-dimethyloct-2-ene, 3,3'-[ bis[imino azo]]bisphthalicacid, 3,3'-[(2,5-dichloro-1,4-phenylene)bis[imino(1-acetyl-2-oxoethane-1,2-diyl)azo]]bisphthalic acid, 3,3'-{(2,5-dichlorobenzene-1,4-diyl)bis[imino(1,3-dioxobutane-1,2-diyl)(e)diazene-2,1-diyl]}dibenzene-1,2-dicarboxylic acid, N,N'-Bis(alpha-(2',3'-dicarboxyphenylazo)acetoaceto)-2,5-dichloro-p-phenylenediamine
| Molecular Formula | C30H22Cl2N6O12 |
|---|---|
| Molecular Weight | 728.07 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 291.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 14 |
| Exact Mass | 728.06726 |
| Heavy Atoms | 50 |
| Complexity | 1320.0 |
Chemical Identifiers
| CAS Number | 57532-26-0 |
|---|---|
| SMILES | CC(=O)C(C(=O)NC1=CC(=C(C=C1Cl)NC(=O)C(C(=O)C)N=NC2=CC=CC(=C2C(=O)O)C(=O)O)Cl)N=NC3=CC=CC(=C3C(=O)O)C(=O)O |
| InChIKey | IKYJRKWNYMEKNT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
RefChem:411139 (CAS 57532-26-0), with molecular formula C30H22Cl2N6O12 and molecular weight 728.07 g/mol. IUPAC: 3-[[1-[2,5-dichloro-4-[[2-[(2,3-dicarboxyphenyl)diazenyl]-3-oxobutanoyl]amino]anilino]-1,3-dioxobutan-2-yl]diazenyl]phthalic acid.
Chemical Property Profile of RefChem:411139
Property Insights of RefChem:411139
The XLogP value of 4.5 indicates that RefChem:411139 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 291.0 Ų indicates high polarity, suggesting RefChem:411139 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:411139 has 6 hydrogen bond donor(s) and 16 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:411139?
The CAS number of RefChem:411139 is 57532-26-0.
What is the molecular formula of RefChem:411139?
The molecular formula of RefChem:411139 is C30H22Cl2N6O12.
What is the molecular weight of RefChem:411139?
The molecular weight of RefChem:411139 is 728.07 g/mol.
Where can I buy RefChem:411139?
You can request a quote for RefChem:411139 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:411139?
Yes, KEHONG BIO provides custom synthesis services for RefChem:411139 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.