N-(2-氯乙基)-2-乙氧基-5-硝基苄胺
TL;DR: N-(2-氯乙基)-2-乙氧基-5-硝基苄胺 (CAS 56538-02-4) is a chemical compound with molecular formula C11H15ClN2O3 and molecular weight 258.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-氯乙基)-2-乙氧基-5-硝基苄胺
2-chloro-N-[(2-ethoxy-5-nitrophenyl)methyl]ethanamine
Also Known As: N-(2-Chloroethyl)-2-ethoxy-5-nitrobenzylamine, N-(2-Chloroethyl)aminomethyl-4-ethoxynitrobenzene, BENZYLAMINE, N-(2-CHLOROETHYL)-2-ETHOXY-5-NITRO-, N-(2-Chloroethyl)-3-aminomethyl-4-ethoxynitrobenzene, Benzenemethanamine, N-(2-chloroethyl)-2-ethoxy-5-nitro-
| Molecular Formula | C11H15ClN2O3 |
|---|---|
| Molecular Weight | 258.08 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 67.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 258.07712 |
| Heavy Atoms | 17 |
| Complexity | 235.0 |
Chemical Identifiers
| CAS Number | 56538-02-4 |
|---|---|
| SMILES | CCOC1=C(C=C(C=C1)[N+](=O)[O-])CNCCCl |
| InChIKey | VMCCMKJABCHXOV-UHFFFAOYSA-N |
Product Overview
N-(2-氯乙基)-2-乙氧基-5-硝基苄胺 (CAS 56538-02-4), with molecular formula C11H15ClN2O3 and molecular weight 258.08 g/mol. IUPAC: 2-chloro-N-[(2-ethoxy-5-nitrophenyl)methyl]ethanamine.
Chemical Property Profile of N-(2-氯乙基)-2-乙氧基-5-硝基苄胺
Property Insights of N-(2-氯乙基)-2-乙氧基-5-硝基苄胺
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(2-氯乙基)-2-乙氧基-5-硝基苄胺. The TPSA of 67.1 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2-氯乙基)-2-乙氧基-5-硝基苄胺. Following Lipinski's Rule of Five, N-(2-氯乙基)-2-乙氧基-5-硝基苄胺 has 1 hydrogen bond donor(s) and 4 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 N-(2-氯乙基)-2-乙氧基-5-硝基苄胺?
The CAS number of N-(2-氯乙基)-2-乙氧基-5-硝基苄胺 is 56538-02-4.
What is the molecular formula of N-(2-氯乙基)-2-乙氧基-5-硝基苄胺?
The molecular formula of N-(2-氯乙基)-2-乙氧基-5-硝基苄胺 is C11H15ClN2O3.
What is the molecular weight of N-(2-氯乙基)-2-乙氧基-5-硝基苄胺?
The molecular weight of N-(2-氯乙基)-2-乙氧基-5-硝基苄胺 is 258.08 g/mol.
Where can I buy N-(2-氯乙基)-2-乙氧基-5-硝基苄胺?
You can request a quote for N-(2-氯乙基)-2-乙氧基-5-硝基苄胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2-氯乙基)-2-乙氧基-5-硝基苄胺?
Yes, KEHONG BIO provides custom synthesis services for N-(2-氯乙基)-2-乙氧基-5-硝基苄胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.