2,4-Dichloro-6-nitrophenyl 2-ethylhexanoate
TL;DR: 2,4-Dichloro-6-nitrophenyl 2-ethylhexanoate (CAS 4988-44-7) is a chemical compound with molecular formula C14H17Cl2NO4 and molecular weight 333.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,4-dichloro-6-nitrophenyl) 2-ethylhexanoate
Also Known As: 2,4-dichloro-6-nitrophenyl 2-ethylhexanoate, (2,4-dichloro-6-nitrophenyl) 2-ethylhexanoate
| Molecular Formula | C14H17Cl2NO4 |
|---|---|
| Molecular Weight | 333.05 g/mol |
| LogP | 5.6 |
| Topological Polar Surface Area | 72.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 333.05347 |
| Heavy Atoms | 21 |
| Complexity | 361.0 |
Chemical Identifiers
| CAS Number | 4988-44-7 |
|---|---|
| SMILES | CCCCC(CC)C(=O)OC1=C(C=C(C=C1Cl)Cl)[N+](=O)[O-] |
| InChIKey | AQYAYHIBHJIREO-UHFFFAOYSA-N |
Product Overview
2,4-Dichloro-6-nitrophenyl 2-ethylhexanoate (CAS 4988-44-7), with molecular formula C14H17Cl2NO4 and molecular weight 333.05 g/mol. IUPAC: (2,4-dichloro-6-nitrophenyl) 2-ethylhexanoate.
Chemical Property Profile of 2,4-Dichloro-6-nitrophenyl 2-ethylhexanoate
Property Insights of 2,4-Dichloro-6-nitrophenyl 2-ethylhexanoate
The XLogP value of 5.6 indicates that 2,4-Dichloro-6-nitrophenyl 2-ethylhexanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,4-Dichloro-6-nitrophenyl 2-ethylhexanoate. Following Lipinski's Rule of Five, 2,4-Dichloro-6-nitrophenyl 2-ethylhexanoate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2,4-Dichloro-6-nitrophenyl 2-ethylhexanoate?
The CAS number of 2,4-Dichloro-6-nitrophenyl 2-ethylhexanoate is 4988-44-7.
What is the molecular formula of 2,4-Dichloro-6-nitrophenyl 2-ethylhexanoate?
The molecular formula of 2,4-Dichloro-6-nitrophenyl 2-ethylhexanoate is C14H17Cl2NO4.
What is the molecular weight of 2,4-Dichloro-6-nitrophenyl 2-ethylhexanoate?
The molecular weight of 2,4-Dichloro-6-nitrophenyl 2-ethylhexanoate is 333.05 g/mol.
Where can I buy 2,4-Dichloro-6-nitrophenyl 2-ethylhexanoate?
You can request a quote for 2,4-Dichloro-6-nitrophenyl 2-ethylhexanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4-Dichloro-6-nitrophenyl 2-ethylhexanoate?
Yes, KEHONG BIO provides custom synthesis services for 2,4-Dichloro-6-nitrophenyl 2-ethylhexanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.