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Ethyl 2-[(2-chloro-4-nitrophenoxy)methyl]benzoate
TL;DR: Ethyl 2-[(2-chloro-4-nitrophenoxy)methyl]benzoate (CAS 30880-73-0) is a chemical compound with molecular formula C16H14ClNO5 and molecular weight 335.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(2-chloro-4-nitrophenoxy)methyl]benzoate
Also Known As: ethyl 2-[(2-chloro-4-nitrophenoxy)methyl]benzoate, ETHYL 2-[(2-CHLORO-4-NITRO-PHENOXY)METHYL]BENZOATE
| Molecular Formula | C16H14ClNO5 |
|---|---|
| Molecular Weight | 335.06 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 81.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 335.05606 |
| Heavy Atoms | 23 |
| Complexity | 414.0 |
Chemical Identifiers
| CAS Number | 30880-73-0 |
|---|---|
| SMILES | CCOC(=O)C1=CC=CC=C1COC2=C(C=C(C=C2)[N+](=O)[O-])Cl |
| InChIKey | UDQMOOCVHVNYNK-UHFFFAOYSA-N |
Product Overview
Ethyl 2-[(2-chloro-4-nitrophenoxy)methyl]benzoate (CAS 30880-73-0), with molecular formula C16H14ClNO5 and molecular weight 335.06 g/mol. IUPAC: ethyl 2-[(2-chloro-4-nitrophenoxy)methyl]benzoate.
Chemical Property Profile of Ethyl 2-[(2-chloro-4-nitrophenoxy)methyl]benzoate
Property Insights of Ethyl 2-[(2-chloro-4-nitrophenoxy)methyl]benzoate
The XLogP value of 4.1 indicates that Ethyl 2-[(2-chloro-4-nitrophenoxy)methyl]benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-[(2-chloro-4-nitrophenoxy)methyl]benzoate. Following Lipinski's Rule of Five, Ethyl 2-[(2-chloro-4-nitrophenoxy)methyl]benzoate has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ethyl 2-[(2-chloro-4-nitrophenoxy)methyl]benzoate?
The CAS number of Ethyl 2-[(2-chloro-4-nitrophenoxy)methyl]benzoate is 30880-73-0.
What is the molecular formula of Ethyl 2-[(2-chloro-4-nitrophenoxy)methyl]benzoate?
The molecular formula of Ethyl 2-[(2-chloro-4-nitrophenoxy)methyl]benzoate is C16H14ClNO5.
What is the molecular weight of Ethyl 2-[(2-chloro-4-nitrophenoxy)methyl]benzoate?
The molecular weight of Ethyl 2-[(2-chloro-4-nitrophenoxy)methyl]benzoate is 335.06 g/mol.
Where can I buy Ethyl 2-[(2-chloro-4-nitrophenoxy)methyl]benzoate?
You can request a quote for Ethyl 2-[(2-chloro-4-nitrophenoxy)methyl]benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-[(2-chloro-4-nitrophenoxy)methyl]benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-[(2-chloro-4-nitrophenoxy)methyl]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.