RefChem:869024
TL;DR: RefChem:869024 (CAS 74110-29-5) is a chemical compound with molecular formula C20H19Cl2N5O4 and molecular weight 463.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[N-(2-cyanoethyl)-4-[(2,6-dichloro-4-nitrophenyl)diazenyl]anilino]propan-2-yl acetate
Also Known As: 2-[[4-[azo]phenyl]amino]-1-methylethylacetate, 2-[ [4-[ azo]phenyl]amino]-1-methylethylacetate, 2-((2-Cyanoethyl)(4-((2,6-dichloro-4-nitrophenyl)azo)phenyl)amino)-1-methylethyl acetate, 3-((2-Acetoxypropyl)(4-((2,6-dichloro-4-nitrophenyl)azo)phenyl)amino)propanenitrile, Propanenitrile, 3-((2-(acetyloxy)propyl)(4-((2,6-dichloro-4-nitrophenyl)azo)phenyl)amino)-
| Molecular Formula | C20H19Cl2N5O4 |
|---|---|
| Molecular Weight | 463.08 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 124.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 463.08142 |
| Heavy Atoms | 31 |
| Complexity | 675.0 |
Chemical Identifiers
| CAS Number | 74110-29-5 |
|---|---|
| SMILES | CC(CN(CCC#N)C1=CC=C(C=C1)N=NC2=C(C=C(C=C2Cl)[N+](=O)[O-])Cl)OC(=O)C |
| InChIKey | VBCYEBODOBFAPI-UHFFFAOYSA-N |
Product Overview
RefChem:869024 (CAS 74110-29-5), with molecular formula C20H19Cl2N5O4 and molecular weight 463.08 g/mol. IUPAC: 1-[N-(2-cyanoethyl)-4-[(2,6-dichloro-4-nitrophenyl)diazenyl]anilino]propan-2-yl acetate.
Chemical Property Profile of RefChem:869024
Property Insights of RefChem:869024
The XLogP value of 4.9 indicates that RefChem:869024 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 124.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:869024. Following Lipinski's Rule of Five, RefChem:869024 has 0 hydrogen bond donor(s) and 8 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:869024?
The CAS number of RefChem:869024 is 74110-29-5.
What is the molecular formula of RefChem:869024?
The molecular formula of RefChem:869024 is C20H19Cl2N5O4.
What is the molecular weight of RefChem:869024?
The molecular weight of RefChem:869024 is 463.08 g/mol.
Where can I buy RefChem:869024?
You can request a quote for RefChem:869024 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:869024?
Yes, KEHONG BIO provides custom synthesis services for RefChem:869024 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.