RefChem:117996
TL;DR: RefChem:117996 (CAS 71566-56-8) is a chemical compound with molecular formula C20H24ClN5O4S and molecular weight 465.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butan-1-amine;4-chloro-3-(3-methyl-5-oxo-4-phenyldiazenyl-4H-pyrazol-1-yl)benzenesulfonic acid
Also Known As: Benzenesulfonic acid, 4-chloro-3-(4,5-dihydro-3-methyl-5-oxo-4-(2-phenyldiazenyl)-1H-pyrazol-1-yl)-, compd. with 1-butanamine (1:1), Benzenesulfonic acid, 4-chloro-3-(4,5-dihydro-3-methyl-5-oxo-4-(phenylazo)-1H-pyrazol-1-yl)-, compd. with 1-butanamine (1:1), Butan-1-amine,4-chloro-3-(3-methyl-5-oxo-4-phenyldiazenyl-4h, Benzenesulfonic acid, 4-chloro-3-[4,5-dihydro-3-methyl-5-oxo-4-(2-phenyldiazenyl)-1H-pyrazol-1-yl]-, compd. with 1-butanamine (1:1), Benzenesulfonic acid, 4-chloro-3-[4,5-dihydro-3-methyl-5-oxo-4-(phenylazo)-1H-pyrazol-1-yl]-, compd. with 1-butanamine (1:1)
| Molecular Formula | C20H24ClN5O4S |
|---|---|
| Molecular Weight | 465.12 g/mol |
| LogP | 4.2069 |
| Topological Polar Surface Area | 146.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 465.12375 |
| Heavy Atoms | 31 |
| Complexity | 713.0 |
Chemical Identifiers
| CAS Number | 71566-56-8 |
|---|---|
| SMILES | CCCCN.CC1=NN(C(=O)C1N=NC2=CC=CC=C2)C3=C(C=CC(=C3)S(=O)(=O)O)Cl |
| InChIKey | DDDRBDQIUDLUEI-UHFFFAOYSA-N |
Product Overview
RefChem:117996 (CAS 71566-56-8), with molecular formula C20H24ClN5O4S and molecular weight 465.12 g/mol. IUPAC: butan-1-amine;4-chloro-3-(3-methyl-5-oxo-4-phenyldiazenyl-4H-pyrazol-1-yl)benzenesulfonic acid.
Chemical Property Profile of RefChem:117996
Property Insights of RefChem:117996
The XLogP value of 4.2069 indicates that RefChem:117996 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 146.0 Ų indicates high polarity, suggesting RefChem:117996 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:117996 has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:117996?
The CAS number of RefChem:117996 is 71566-56-8.
What is the molecular formula of RefChem:117996?
The molecular formula of RefChem:117996 is C20H24ClN5O4S.
What is the molecular weight of RefChem:117996?
The molecular weight of RefChem:117996 is 465.12 g/mol.
Where can I buy RefChem:117996?
You can request a quote for RefChem:117996 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:117996?
Yes, KEHONG BIO provides custom synthesis services for RefChem:117996 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.