2-Chlor-tetradecansaeure
TL;DR: 2-Chlor-tetradecansaeure (CAS 70247-72-2) is a chemical compound with molecular formula C26H12Cl3CuN6Na3O11S3 and molecular weight 916.78 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
copper;trisodium;4-oxido-5-[[1-oxido-3-sulfonato-6-[4-[(2,5,6-trichloropyrimidin-4-yl)amino]anilino]naphthalen-2-yl]diazenyl]benzene-1,3-disulfonate
Also Known As: 2-Chlor-tetradecansaeure, Cuprate(3-), (4-(hydroxy-kappaO)-5-(2-(1-(hydroxy-kappaO)-3-sulfo-6-((4-((2,5,6-trichloro-4-pyrimidinyl)amino)phenyl)amino)-2-naphthalenyl)diazenyl-kappaN1)-1,3-benzenedisulfonato(5-))-, sodium (1:3), Cuprate(3-), [4-(hydroxy-.kappa.O)-5-[[1-(hydroxy-.kappa.O)-3-sulfo-6-[[4-[(2,5,6-trichloro-4-pyrimidinyl)amino]phenyl]amino]-2-naphthalenyl]azo-.kappa.N1]-1,3-benzenedisulfonato(5-)]-, trisodium, (4-Hydroxy-5-((1-hydroxy-3-sulfo-6-((4-((2,5,6-trichloro-4-pyrimidinyl)amino)phenyl)amino)-2-naphthalenyl)azo)-1,3-benzenedisulfonato(5-))cuprate(3-), trisodium, Cuprate(3-), (4-(hydroxy-kappaO)-5-((1-(hydroxy-kappaO)-3-sulfo-6-((4-((2,5,6-trichloro-4-pyrimidinyl)amino)phenyl)amino)-2-naphthalenyl)azo-kappaN1)-1,3-benzenedisulfonato(5-))-, trisodium
| Molecular Formula | C26H12Cl3CuN6Na3O11S3 |
|---|---|
| Molecular Weight | 916.78 g/mol |
| LogP | -4.64 |
| Topological Polar Surface Area | 317.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 17 |
| Rotatable Bonds | 6 |
| Exact Mass | 916.7781 |
| Heavy Atoms | 53 |
| Complexity | 1470.0 |
Chemical Identifiers
| CAS Number | 70247-72-2 |
|---|---|
| SMILES | C1=CC(=CC=C1NC2=CC3=CC(=C(C(=C3C=C2)[O-])N=NC4=C(C(=CC(=C4)S(=O)(=O)[O-])S(=O)(=O)[O-])[O-])S(=O)(=O)[O-])NC5=C(C(=NC(=N5)Cl)Cl)Cl.[Na+].[Na+].[Na+].[Cu+2] |
| InChIKey | ZPCVESWWISKPDY-UHFFFAOYSA-I |
Product Overview
2-Chlor-tetradecansaeure (CAS 70247-72-2), with molecular formula C26H12Cl3CuN6Na3O11S3 and molecular weight 916.78 g/mol. IUPAC: copper;trisodium;4-oxido-5-[[1-oxido-3-sulfonato-6-[4-[(2,5,6-trichloropyrimidin-4-yl)amino]anilino]naphthalen-2-yl]diazenyl]benzene-1,3-disulfonate.
Chemical Property Profile of 2-Chlor-tetradecansaeure
Property Insights of 2-Chlor-tetradecansaeure
The XLogP value of -4.64 indicates that 2-Chlor-tetradecansaeure is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 317.0 Ų indicates high polarity, suggesting 2-Chlor-tetradecansaeure may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-Chlor-tetradecansaeure has 2 hydrogen bond donor(s) and 17 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-Chlor-tetradecansaeure?
The CAS number of 2-Chlor-tetradecansaeure is 70247-72-2.
What is the molecular formula of 2-Chlor-tetradecansaeure?
The molecular formula of 2-Chlor-tetradecansaeure is C26H12Cl3CuN6Na3O11S3.
What is the molecular weight of 2-Chlor-tetradecansaeure?
The molecular weight of 2-Chlor-tetradecansaeure is 916.78 g/mol.
Where can I buy 2-Chlor-tetradecansaeure?
You can request a quote for 2-Chlor-tetradecansaeure directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chlor-tetradecansaeure?
Yes, KEHONG BIO provides custom synthesis services for 2-Chlor-tetradecansaeure and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.