EINECS 305-158-7
TL;DR: EINECS 305-158-7 (CAS 94349-41-4) is a chemical compound with molecular formula C31H43N3O6S and molecular weight 585.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[3-(hexadecanoylamino)-5-oxo-4H-pyrazol-1-yl]-2-phenoxybenzenesulfonic acid
Also Known As: EINECS 305-158-7, 5-(4,5-Dihydro-5-oxo-3-((1-oxohexadecyl)amino)-1H-pyrazol-1-yl)-2-phenoxybenzenesulphonic acid, 5-(3-hexadecanamido-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)-2-phenoxybenzene-1-sulfonic acid, 5-(5-Oxo-3-palmitamido-4,5-dihydro-1H-pyrazol-1-yl)-2-phenoxybenzenesulfonic acid, 5-[3-(hexadecanoylamino)-5-oxo-4H-pyrazol-1-yl]-2-phenoxybenzenesulfonic acid
| Molecular Formula | C31H43N3O6S |
|---|---|
| Molecular Weight | 585.29 g/mol |
| LogP | 7.3733 |
| Topological Polar Surface Area | 125.37 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 18 |
| Exact Mass | 585.28723 |
| Heavy Atoms | 41 |
| Complexity | 1263.8693 |
Chemical Identifiers
| CAS Number | 94349-41-4 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCC(=O)NC1=NN(C(=O)C1)C2=CC(=C(C=C2)OC3=CC=CC=C3)S(=O)(=O)O |
Product Overview
EINECS 305-158-7 (CAS 94349-41-4), with molecular formula C31H43N3O6S and molecular weight 585.29 g/mol. IUPAC: 5-[3-(hexadecanoylamino)-5-oxo-4H-pyrazol-1-yl]-2-phenoxybenzenesulfonic acid.
Chemical Property Profile of EINECS 305-158-7
Property Insights of EINECS 305-158-7
The XLogP value of 7.3733 indicates that EINECS 305-158-7 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 125.37 Ų falls within the moderate polarity range, balancing permeability and solubility for EINECS 305-158-7. Following Lipinski's Rule of Five, EINECS 305-158-7 has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of EINECS 305-158-7?
The CAS number of EINECS 305-158-7 is 94349-41-4.
What is the molecular formula of EINECS 305-158-7?
The molecular formula of EINECS 305-158-7 is C31H43N3O6S.
What is the molecular weight of EINECS 305-158-7?
The molecular weight of EINECS 305-158-7 is 585.29 g/mol.
Where can I buy EINECS 305-158-7?
You can request a quote for EINECS 305-158-7 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 305-158-7?
Yes, KEHONG BIO provides custom synthesis services for EINECS 305-158-7 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.