RefChem:117998
TL;DR: RefChem:117998 (CAS 70693-52-6) is a chemical compound with molecular formula C32H48ClN5O4S and molecular weight 633.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-3-(3-methyl-5-oxo-4-phenyldiazenyl-4H-pyrazol-1-yl)benzenesulfonic acid;N-octyloctan-1-amine
Also Known As: Benzenesulfonic acid, 4-chloro-3-(4,5-dihydro-3-methyl-5-oxo-4-(2-phenyldiazenyl)-1H-pyrazol-1-yl)-, compd. with N-octyl-1-octanamine (1:1), Benzenesulfonic acid, 4-chloro-3-(4,5-dihydro-3-methyl-5-oxo-4-(phenylazo)-1H-pyrazol-1-yl)-, compd. with N-octyl-1-octanamine (1:1), Benzenesulfonic acid, 4-chloro-3-(4,5-dihydro-3-methyl-5-oxo-4-(phenylazo)-1H-pyrazol-1-yl)-, dioctylamine salt, Benzenesulfonic acid, 4-chloro-3-[4,5-dihydro-3-methyl-5-oxo-4-(2-phenyldiazenyl)-1H-pyrazol-1-yl]-, compd. with N-octyl-1-octanamine (1:1), 4-chloro-3-(3-methyl-5-oxo-4-phenyldiazenyl-4H-pyrazol-1-yl)benzenesulfonic acid; N-octyloctan-1-amine
| Molecular Formula | C32H48ClN5O4S |
|---|---|
| Molecular Weight | 633.31 g/mol |
| LogP | 8.7587 |
| Topological Polar Surface Area | 132.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 18 |
| Exact Mass | 633.3115 |
| Heavy Atoms | 43 |
| Complexity | 808.0 |
Chemical Identifiers
| CAS Number | 70693-52-6 |
|---|---|
| SMILES | CCCCCCCCNCCCCCCCC.CC1=NN(C(=O)C1N=NC2=CC=CC=C2)C3=C(C=CC(=C3)S(=O)(=O)O)Cl |
| InChIKey | IRXGROBEFSSNNA-UHFFFAOYSA-N |
Product Overview
RefChem:117998 (CAS 70693-52-6), with molecular formula C32H48ClN5O4S and molecular weight 633.31 g/mol. IUPAC: 4-chloro-3-(3-methyl-5-oxo-4-phenyldiazenyl-4H-pyrazol-1-yl)benzenesulfonic acid;N-octyloctan-1-amine.
Chemical Property Profile of RefChem:117998
Property Insights of RefChem:117998
The XLogP value of 8.7587 indicates that RefChem:117998 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:117998. Following Lipinski's Rule of Five, RefChem:117998 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:117998?
The CAS number of RefChem:117998 is 70693-52-6.
What is the molecular formula of RefChem:117998?
The molecular formula of RefChem:117998 is C32H48ClN5O4S.
What is the molecular weight of RefChem:117998?
The molecular weight of RefChem:117998 is 633.31 g/mol.
Where can I buy RefChem:117998?
You can request a quote for RefChem:117998 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:117998?
Yes, KEHONG BIO provides custom synthesis services for RefChem:117998 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.