EINECS 301-952-2
TL;DR: EINECS 301-952-2 (CAS 94087-60-2) is a chemical compound with molecular formula C33H45Cl2N3O4 and molecular weight 617.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-chloro-5-methyl-2-tetradecylphenoxy)ethyl N-[1-(3-chlorophenyl)-5-oxo-4H-pyrazol-3-yl]carbamate
Also Known As: EINECS 301-952-2, 2-(4-Chloro-5-methyl-2-tetradecylphenoxy)ethyl (1-(3-chlorophenyl)-4,5-dihydro-5-oxo-1H-pyrazol-3-yl)carbamate, 2-(4-CHLORO-5-METHYL-2-TETRADECYLPHENOXY)ETHYL [1-(3-CHLOROPHENYL)-4,5-DIHYDRO-5-OXO-1H-PYRAZOL-3-YL]CARBAMATE, 2-(4-chloro-5-methyl-2-tetradecylphenoxy)ethyl N-[1-(3-chlorophenyl)-5-oxo-4H-pyrazol-3-yl]carbamate, [[1-(3-Chlorophenyl)-4,5-dihydro-5-oxo-1H-pyrazol]-3-yl]carbamic acid 2-(4-chloro-5-methyl-2-tetradecylphenoxy)ethyl ester
| Molecular Formula | C33H45Cl2N3O4 |
|---|---|
| Molecular Weight | 617.28 g/mol |
| LogP | 9.40082 |
| Topological Polar Surface Area | 80.23 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 18 |
| Exact Mass | 617.2787 |
| Heavy Atoms | 42 |
| Complexity | 1187.8809 |
Chemical Identifiers
| CAS Number | 94087-60-2 |
|---|---|
| SMILES | CCCCCCCCCCCCCCC1=C(C=C(C(=C1)Cl)C)OCCOC(=O)NC2=NN(C(=O)C2)C3=CC(=CC=C3)Cl |
Product Overview
EINECS 301-952-2 (CAS 94087-60-2), with molecular formula C33H45Cl2N3O4 and molecular weight 617.28 g/mol. IUPAC: 2-(4-chloro-5-methyl-2-tetradecylphenoxy)ethyl N-[1-(3-chlorophenyl)-5-oxo-4H-pyrazol-3-yl]carbamate.
Chemical Property Profile of EINECS 301-952-2
Property Insights of EINECS 301-952-2
The XLogP value of 9.40082 indicates that EINECS 301-952-2 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.23 Ų falls within the moderate polarity range, balancing permeability and solubility for EINECS 301-952-2. Following Lipinski's Rule of Five, EINECS 301-952-2 has 1 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 301-952-2?
The CAS number of EINECS 301-952-2 is 94087-60-2.
What is the molecular formula of EINECS 301-952-2?
The molecular formula of EINECS 301-952-2 is C33H45Cl2N3O4.
What is the molecular weight of EINECS 301-952-2?
The molecular weight of EINECS 301-952-2 is 617.28 g/mol.
Where can I buy EINECS 301-952-2?
You can request a quote for EINECS 301-952-2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 301-952-2?
Yes, KEHONG BIO provides custom synthesis services for EINECS 301-952-2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.