EINECS 305-652-2
TL;DR: EINECS 305-652-2 (CAS 94944-74-8) is a chemical compound with molecular formula C34H46N4O5S and molecular weight 622.32 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-(2-cyanoethyl)-3-[4-(hexadecanoylamino)phenyl]-5-oxo-4H-pyrazol-1-yl]benzenesulfonic acid
Also Known As: EINECS 305-652-2, m-(4-(2-Cyanoethyl)-4,5-dihydro-5-oxo-3-(4-((1-oxohexadecyl)amino)phenyl)-1H-pyrazol-1-yl)benzenesulphonic acid, M-[4-(2-CYANOETHYL)-4,5-DIHYDRO-5-OXO-3-[4-[(1-OXOHEXADECYL)AMINO]PHENYL]-1H-PYRAZOL-1-YL]BENZENESULFONIC ACID, 3-[4-(2-cyanoethyl)-3-(4-hexadecanamidophenyl)-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzene-1-sulfonic acid, m-[4- -4,5-dihydro-5-oxo-3-[4-[ amino]phenyl]-1H-pyrazol-1-yl]benzenesulphonicacid
| Molecular Formula | C34H46N4O5S |
|---|---|
| Molecular Weight | 622.32 g/mol |
| LogP | 8.02398 |
| Topological Polar Surface Area | 139.93 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 20 |
| Exact Mass | 622.3189 |
| Heavy Atoms | 44 |
| Complexity | 1399.4934 |
Chemical Identifiers
| CAS Number | 94944-74-8 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCC(=O)NC1=CC=C(C=C1)C2=NN(C(=O)C2CCC#N)C3=CC(=CC=C3)S(=O)(=O)O |
Product Overview
EINECS 305-652-2 (CAS 94944-74-8), with molecular formula C34H46N4O5S and molecular weight 622.32 g/mol. IUPAC: 3-[4-(2-cyanoethyl)-3-[4-(hexadecanoylamino)phenyl]-5-oxo-4H-pyrazol-1-yl]benzenesulfonic acid.
Chemical Property Profile of EINECS 305-652-2
Property Insights of EINECS 305-652-2
The XLogP value of 8.02398 indicates that EINECS 305-652-2 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 139.93 Ų falls within the moderate polarity range, balancing permeability and solubility for EINECS 305-652-2. Following Lipinski's Rule of Five, EINECS 305-652-2 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 305-652-2?
The CAS number of EINECS 305-652-2 is 94944-74-8.
What is the molecular formula of EINECS 305-652-2?
The molecular formula of EINECS 305-652-2 is C34H46N4O5S.
What is the molecular weight of EINECS 305-652-2?
The molecular weight of EINECS 305-652-2 is 622.32 g/mol.
Where can I buy EINECS 305-652-2?
You can request a quote for EINECS 305-652-2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 305-652-2?
Yes, KEHONG BIO provides custom synthesis services for EINECS 305-652-2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.