RefChem:868732
TL;DR: RefChem:868732 (CAS 65000-33-1) is a chemical compound with molecular formula C20H22N6O3 and molecular weight 394.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[N-(2-cyanoethyl)-4-[(4-nitrophenyl)diazenyl]anilino]-N-ethylpropanamide
Also Known As: 1-(3-butoxypropyl)-2-methylpiperidine, 3-[[4-[azo]phenyl]amino]-n-ethylpropionamide, 3-[ [4-[ azo]phenyl]amino]-N-ethylpropionamide, Propanamide, 3-((2-cyanoethyl)(4-((4-nitrophenyl)azo)phenyl)amino)-N-ethyl-, Propanamide, 3-[(2-cyanoethyl)[4-[(4-nitrophenyl)azo]phenyl]amino]-N-ethyl-
| Molecular Formula | C20H22N6O3 |
|---|---|
| Molecular Weight | 394.18 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 127.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 394.17532 |
| Heavy Atoms | 29 |
| Complexity | 595.0 |
Chemical Identifiers
| CAS Number | 65000-33-1 |
|---|---|
| SMILES | CCNC(=O)CCN(CCC#N)C1=CC=C(C=C1)N=NC2=CC=C(C=C2)[N+](=O)[O-] |
| InChIKey | ZMCMFCFTNCYBBL-UHFFFAOYSA-N |
Product Overview
RefChem:868732 (CAS 65000-33-1), with molecular formula C20H22N6O3 and molecular weight 394.18 g/mol. IUPAC: 3-[N-(2-cyanoethyl)-4-[(4-nitrophenyl)diazenyl]anilino]-N-ethylpropanamide.
Chemical Property Profile of RefChem:868732
Property Insights of RefChem:868732
The XLogP value of 3.0 indicates that RefChem:868732 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 127.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:868732. Following Lipinski's Rule of Five, RefChem:868732 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 RefChem:868732?
The CAS number of RefChem:868732 is 65000-33-1.
What is the molecular formula of RefChem:868732?
The molecular formula of RefChem:868732 is C20H22N6O3.
What is the molecular weight of RefChem:868732?
The molecular weight of RefChem:868732 is 394.18 g/mol.
Where can I buy RefChem:868732?
You can request a quote for RefChem:868732 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:868732?
Yes, KEHONG BIO provides custom synthesis services for RefChem:868732 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.