RefChem:117806
TL;DR: RefChem:117806 (CAS 68109-77-3) is a chemical compound with molecular formula C32H47Cl2N5O4S and molecular weight 667.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,5-dichloro-4-(3-methyl-5-oxo-4-phenyldiazenyl-4H-pyrazol-1-yl)benzenesulfonic acid;2-ethyl-N-(2-ethylhexyl)hexan-1-amine
Also Known As: 2,5-Dichloro-4-(4,5-dihydro-3-methyl-5-oxo-4-(phenylazo)-1H-pyrazol-1-yl)benzenesulphonic acid, compound with bis(2-ethylhexyl)amine(1:1), 2,5-dichloro-4-{3-methyl-5-oxo-4-[(e)-phenyldiazenyl]-4,5-dihydro-1h-pyrazol-1-yl}benzenesulfonic acid- 2-ethyl-n-(2-ethylhexyl)hexan-1-amine(1:1), Benzenesulfonic acid, 2,5-dichloro-4-(4,5-dihydro-3-methyl-5-oxo-4-(2-phenyldiazenyl)-1H-pyrazol-1-yl)-, compd. with 2-ethyl-N-(2-ethylhexyl)-1-hexanamine (1:1), Benzenesulfonic acid, 2,5-dichloro-4-(4,5-dihydro-3-methyl-5-oxo-4-(phenylazo)-1H-pyrazol-1-yl)-, compd. with 2-ethyl-N-(2-ethylhexyl)-1-hexanamine (1:1), Benzenesulfonic acid, 2,5-dichloro-4-(4,5-dihydro-3-methyl-5-oxo-4-(phenylazo)-1H-pyrazol-1-yl)-, di(2-ethylhexyl)amine salt
| Molecular Formula | C32H47Cl2N5O4S |
|---|---|
| Molecular Weight | 667.27 g/mol |
| LogP | 9.12 |
| Topological Polar Surface Area | 132.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 16 |
| Exact Mass | 667.2726 |
| Heavy Atoms | 44 |
| Complexity | 862.0 |
Chemical Identifiers
| CAS Number | 68109-77-3 |
|---|---|
| SMILES | CCCCC(CC)CNCC(CC)CCCC.CC1=NN(C(=O)C1N=NC2=CC=CC=C2)C3=CC(=C(C=C3Cl)S(=O)(=O)O)Cl |
| InChIKey | OFIATOFGJTVOBS-UHFFFAOYSA-N |
Product Overview
RefChem:117806 (CAS 68109-77-3), with molecular formula C32H47Cl2N5O4S and molecular weight 667.27 g/mol. IUPAC: 2,5-dichloro-4-(3-methyl-5-oxo-4-phenyldiazenyl-4H-pyrazol-1-yl)benzenesulfonic acid;2-ethyl-N-(2-ethylhexyl)hexan-1-amine.
Chemical Property Profile of RefChem:117806
Property Insights of RefChem:117806
The XLogP value of 9.12 indicates that RefChem:117806 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 132.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:117806. Following Lipinski's Rule of Five, RefChem:117806 has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:117806?
The CAS number of RefChem:117806 is 68109-77-3.
What is the molecular formula of RefChem:117806?
The molecular formula of RefChem:117806 is C32H47Cl2N5O4S.
What is the molecular weight of RefChem:117806?
The molecular weight of RefChem:117806 is 667.27 g/mol.
Where can I buy RefChem:117806?
You can request a quote for RefChem:117806 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:117806?
Yes, KEHONG BIO provides custom synthesis services for RefChem:117806 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.