EINECS 306-368-1
TL;DR: EINECS 306-368-1 (CAS 97158-37-7) is a chemical compound with molecular formula C33H47N3O5S and molecular weight 597.32 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[3-[4-(octadecanoylamino)phenyl]-5-oxo-4H-pyrazol-1-yl]benzenesulfonic acid
Also Known As: EINECS 306-368-1, 3-(4,5-Dihydro-5-oxo-3-(4-((1-oxooctadecyl)amino)phenyl)-1H-pyrazol-1-yl)benzenesulphonic acid, 3-(5-Oxo-3-(4-stearamidophenyl)-4,5-dihydro-1H-pyrazol-1-yl)benzenesulfonic acid, 3-[3-(4-octadecanamidophenyl)-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzene-1-sulfonic acid, 3-[4,5-dihydro-5-oxo-3-[4-[(1-oxooctadecyl)amino]phenyl]-1H-pyrazol-1-yl]benzenesulphonic acid
| Molecular Formula | C33H47N3O5S |
|---|---|
| Molecular Weight | 597.32 g/mol |
| LogP | 8.2743 |
| Topological Polar Surface Area | 116.14 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 20 |
| Exact Mass | 597.32367 |
| Heavy Atoms | 42 |
| Complexity | 1274.8462 |
Chemical Identifiers
| CAS Number | 97158-37-7 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCC(=O)NC1=CC=C(C=C1)C2=NN(C(=O)C2)C3=CC(=CC=C3)S(=O)(=O)O |
Product Overview
EINECS 306-368-1 (CAS 97158-37-7), with molecular formula C33H47N3O5S and molecular weight 597.32 g/mol. IUPAC: 3-[3-[4-(octadecanoylamino)phenyl]-5-oxo-4H-pyrazol-1-yl]benzenesulfonic acid.
Chemical Property Profile of EINECS 306-368-1
Property Insights of EINECS 306-368-1
The XLogP value of 8.2743 indicates that EINECS 306-368-1 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 116.14 Ų falls within the moderate polarity range, balancing permeability and solubility for EINECS 306-368-1. Following Lipinski's Rule of Five, EINECS 306-368-1 has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of EINECS 306-368-1?
The CAS number of EINECS 306-368-1 is 97158-37-7.
What is the molecular formula of EINECS 306-368-1?
The molecular formula of EINECS 306-368-1 is C33H47N3O5S.
What is the molecular weight of EINECS 306-368-1?
The molecular weight of EINECS 306-368-1 is 597.32 g/mol.
Where can I buy EINECS 306-368-1?
You can request a quote for EINECS 306-368-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 306-368-1?
Yes, KEHONG BIO provides custom synthesis services for EINECS 306-368-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.