![N-[(E)-[3-[(4-chlorophenoxy)methyl]-4-methoxyphenyl]methylideneamino]-3-(4-nitropyrazol-1-yl)propanamide structure](/static/products/512/512815-39-3.png)
N-[(E)-[3-[(4-chlorophenoxy)methyl]-4-methoxyphenyl]methylideneamino]-3-(4-nitropyrazol-1-yl)propanamide
TL;DR: N-[(E)-[3-[(4-chlorophenoxy)methyl]-4-methoxyphenyl]methylideneamino]-3-(4-nitropyrazol-1-yl)propanamide (CAS 512815-39-3) is a chemical compound with molecular formula C21H20ClN5O5 and molecular weight 457.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(E)-[3-[(4-chlorophenoxy)methyl]-4-methoxyphenyl]methylideneamino]-3-(4-nitropyrazol-1-yl)propanamide
Also Known As: N-[(E)-[3-[(4-chlorophenoxy)methyl]-4-methoxyphenyl]methylideneamino]-3-(4-nitropyrazol-1-yl)propanamide, N'-{3-[(4-chlorophenoxy)methyl]-4-methoxybenzylidene}-3-{4-nitro-1H-pyrazol-1-yl}propanohydrazide, N'-((E)-1-{3-[(4-CHLOROPHENOXY)METHYL]-4-METHOXYPHENYL}METHYLIDENE)-3-(4-NITRO-1H-PYRAZOL-1-YL)PROPANOHYDRAZIDE, N'-[(E)-{3-[(4-chlorophenoxy)methyl]-4-methoxyphenyl}methylidene]-3-(4-nitro-1H-pyrazol-1-yl)propanehydrazide
| Molecular Formula | C21H20ClN5O5 |
|---|---|
| Molecular Weight | 457.12 g/mol |
| LogP | 3.5727 |
| Topological Polar Surface Area | 120.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 457.1153 |
| Heavy Atoms | 32 |
| Complexity | 1114.0231 |
Chemical Identifiers
| CAS Number | 512815-39-3 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)/C=N/NC(=O)CCN2C=C(C=N2)[N+](=O)[O-])COC3=CC=C(C=C3)Cl |
Product Overview
N-[(E)-[3-[(4-chlorophenoxy)methyl]-4-methoxyphenyl]methylideneamino]-3-(4-nitropyrazol-1-yl)propanamide (CAS 512815-39-3), with molecular formula C21H20ClN5O5 and molecular weight 457.12 g/mol. IUPAC: N-[(E)-[3-[(4-chlorophenoxy)methyl]-4-methoxyphenyl]methylideneamino]-3-(4-nitropyrazol-1-yl)propanamide.
Chemical Property Profile of N-[(E)-[3-[(4-chlorophenoxy)methyl]-4-methoxyphenyl]methylideneamino]-3-(4-nitropyrazol-1-yl)propanamide
Property Insights of N-[(E)-[3-[(4-chlorophenoxy)methyl]-4-methoxyphenyl]methylideneamino]-3-(4-nitropyrazol-1-yl)propanamide
The XLogP value of 3.5727 indicates that N-[(E)-[3-[(4-chlorophenoxy)methyl]-4-methoxyphenyl]methylideneamino]-3-(4-nitropyrazol-1-yl)propanamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 120.88 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[(E)-[3-[(4-chlorophenoxy)methyl]-4-methoxyphenyl]methylideneamino]-3-(4-nitropyrazol-1-yl)propanamide. Following Lipinski's Rule of Five, N-[(E)-[3-[(4-chlorophenoxy)methyl]-4-methoxyphenyl]methylideneamino]-3-(4-nitropyrazol-1-yl)propanamide has 1 hydrogen bond donor(s) and 7 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-[(E)-[3-[(4-chlorophenoxy)methyl]-4-methoxyphenyl]methylideneamino]-3-(4-nitropyrazol-1-yl)propanamide?
The CAS number of N-[(E)-[3-[(4-chlorophenoxy)methyl]-4-methoxyphenyl]methylideneamino]-3-(4-nitropyrazol-1-yl)propanamide is 512815-39-3.
What is the molecular formula of N-[(E)-[3-[(4-chlorophenoxy)methyl]-4-methoxyphenyl]methylideneamino]-3-(4-nitropyrazol-1-yl)propanamide?
The molecular formula of N-[(E)-[3-[(4-chlorophenoxy)methyl]-4-methoxyphenyl]methylideneamino]-3-(4-nitropyrazol-1-yl)propanamide is C21H20ClN5O5.
What is the molecular weight of N-[(E)-[3-[(4-chlorophenoxy)methyl]-4-methoxyphenyl]methylideneamino]-3-(4-nitropyrazol-1-yl)propanamide?
The molecular weight of N-[(E)-[3-[(4-chlorophenoxy)methyl]-4-methoxyphenyl]methylideneamino]-3-(4-nitropyrazol-1-yl)propanamide is 457.12 g/mol.
Where can I buy N-[(E)-[3-[(4-chlorophenoxy)methyl]-4-methoxyphenyl]methylideneamino]-3-(4-nitropyrazol-1-yl)propanamide?
You can request a quote for N-[(E)-[3-[(4-chlorophenoxy)methyl]-4-methoxyphenyl]methylideneamino]-3-(4-nitropyrazol-1-yl)propanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[(E)-[3-[(4-chlorophenoxy)methyl]-4-methoxyphenyl]methylideneamino]-3-(4-nitropyrazol-1-yl)propanamide?
Yes, KEHONG BIO provides custom synthesis services for N-[(E)-[3-[(4-chlorophenoxy)methyl]-4-methoxyphenyl]methylideneamino]-3-(4-nitropyrazol-1-yl)propanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.