Ethyl 3-((2-chloro-5-nitrophenyl)imino)-3-ethoxypropionate
TL;DR: Ethyl 3-((2-chloro-5-nitrophenyl)imino)-3-ethoxypropionate (CAS 63134-00-9) is a chemical compound with molecular formula C13H15ClN2O5 and molecular weight 314.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-(2-chloro-5-nitrophenyl)imino-3-ethoxypropanoate
Also Known As: EINECS 263-905-1, ethyl3-[imino]-3-ethoxypropionate, ethyl3-[ imino]-3-ethoxypropionate, Ethyl 3-((2-chloro-5-nitrophenyl)imino)-3-ethoxypropionate, ethyl 3-(2-chloro-5-nitrophenyl)imino-3-ethoxypropanoate
| Molecular Formula | C13H15ClN2O5 |
|---|---|
| Molecular Weight | 314.07 g/mol |
| LogP | 3.2679 |
| Topological Polar Surface Area | 91.03 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 314.06696 |
| Heavy Atoms | 21 |
| Complexity | 559.4926 |
Chemical Identifiers
| CAS Number | 63134-00-9 |
|---|---|
| SMILES | CCOC(=NC1=C(C=CC(=C1)[N+](=O)[O-])Cl)CC(=O)OCC |
Product Overview
Ethyl 3-((2-chloro-5-nitrophenyl)imino)-3-ethoxypropionate (CAS 63134-00-9), with molecular formula C13H15ClN2O5 and molecular weight 314.07 g/mol. IUPAC: ethyl 3-(2-chloro-5-nitrophenyl)imino-3-ethoxypropanoate.
Chemical Property Profile of Ethyl 3-((2-chloro-5-nitrophenyl)imino)-3-ethoxypropionate
Property Insights of Ethyl 3-((2-chloro-5-nitrophenyl)imino)-3-ethoxypropionate
The XLogP value of 3.2679 indicates that Ethyl 3-((2-chloro-5-nitrophenyl)imino)-3-ethoxypropionate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.03 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 3-((2-chloro-5-nitrophenyl)imino)-3-ethoxypropionate. Following Lipinski's Rule of Five, Ethyl 3-((2-chloro-5-nitrophenyl)imino)-3-ethoxypropionate has 0 hydrogen bond donor(s) and 6 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 3-((2-chloro-5-nitrophenyl)imino)-3-ethoxypropionate?
The CAS number of Ethyl 3-((2-chloro-5-nitrophenyl)imino)-3-ethoxypropionate is 63134-00-9.
What is the molecular formula of Ethyl 3-((2-chloro-5-nitrophenyl)imino)-3-ethoxypropionate?
The molecular formula of Ethyl 3-((2-chloro-5-nitrophenyl)imino)-3-ethoxypropionate is C13H15ClN2O5.
What is the molecular weight of Ethyl 3-((2-chloro-5-nitrophenyl)imino)-3-ethoxypropionate?
The molecular weight of Ethyl 3-((2-chloro-5-nitrophenyl)imino)-3-ethoxypropionate is 314.07 g/mol.
Where can I buy Ethyl 3-((2-chloro-5-nitrophenyl)imino)-3-ethoxypropionate?
You can request a quote for Ethyl 3-((2-chloro-5-nitrophenyl)imino)-3-ethoxypropionate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-((2-chloro-5-nitrophenyl)imino)-3-ethoxypropionate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-((2-chloro-5-nitrophenyl)imino)-3-ethoxypropionate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.