BAS 00009725
TL;DR: BAS 00009725 (CAS 55302-61-9) is a chemical compound with molecular formula C39H50ClN5O7S and molecular weight 767.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[4-[(2-chloro-4-hydroxyphenyl)diazenyl]-3-(octadecanoylamino)-5-oxo-4H-pyrazol-1-yl]-2-phenoxybenzenesulfonic acid
Also Known As: BAS 00009725, 1-(3-SULFO-4-PHENOXY-PHENYL)-3-OCTADECANAMIDO-4-(2-CHLOR-4-H, CHLORO-HYDROXYPHENYLAZO-OCTADECANAMIDO-OXO-PYRAZOLINYL-PHO-BENZENESULFONIC ACID, 1-(3-SULFO-4-PHENOXY-PHENYL)-3-OCTADECANAMIDO-4-(2-CHLOR-4-HYDROXY)-PHENYLAZO-PYRAZOLINE-5-ONE, 5-[4-[(2E)-2-(2-chloro-4-oxocyclohexa-2,5-dien-1-ylidene)hydrazinyl]-3-(octadecanoylamino)-5-oxo-4H-pyrazol-1-yl]-2-phenoxybenzenesulfonic acid
| Molecular Formula | C39H50ClN5O7S |
|---|---|
| Molecular Weight | 767.31 g/mol |
| LogP | 10.2749 |
| Topological Polar Surface Area | 170.32 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 22 |
| Exact Mass | 767.31195 |
| Heavy Atoms | 53 |
| Complexity | 1821.7876 |
Chemical Identifiers
| CAS Number | 55302-61-9 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCC(=O)NC1=NN(C(=O)C1N=NC2=C(C=C(C=C2)O)Cl)C3=CC(=C(C=C3)OC4=CC=CC=C4)S(=O)(=O)O |
Product Overview
BAS 00009725 (CAS 55302-61-9), with molecular formula C39H50ClN5O7S and molecular weight 767.31 g/mol. IUPAC: 5-[4-[(2-chloro-4-hydroxyphenyl)diazenyl]-3-(octadecanoylamino)-5-oxo-4H-pyrazol-1-yl]-2-phenoxybenzenesulfonic acid.
Chemical Property Profile of BAS 00009725
Property Insights of BAS 00009725
The XLogP value of 10.2749 indicates that BAS 00009725 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 170.32 Ų indicates high polarity, suggesting BAS 00009725 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, BAS 00009725 has 3 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00009725?
The CAS number of BAS 00009725 is 55302-61-9.
What is the molecular formula of BAS 00009725?
The molecular formula of BAS 00009725 is C39H50ClN5O7S.
What is the molecular weight of BAS 00009725?
The molecular weight of BAS 00009725 is 767.31 g/mol.
Where can I buy BAS 00009725?
You can request a quote for BAS 00009725 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00009725?
Yes, KEHONG BIO provides custom synthesis services for BAS 00009725 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.