RefChem:869018
TL;DR: RefChem:869018 (CAS 63467-08-3) is a chemical compound with molecular formula C20H21N5O6S and molecular weight 459.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[N-(2-cyanoethyl)-4-[(2-methylsulfonyl-4-nitrophenyl)diazenyl]anilino]ethyl acetate
Also Known As: 2-((2-Cyanoethyl)(4-((2-(methylsulphonyl)-4-nitrophenyl)azo)phenyl)amino)ethyl acetate, Propanenitrile, 3-[[2-(acetyloxy)ethyl][4-[[2-(methylsulfonyl)-4-nitrophenyl]azo]phenyl]amino]-, Propanenitrile, 3-((2-(acetyloxy)ethyl)(4-((2-(methylsulfonyl)-4-nitrophenyl)azo)phenyl)amino)-, Propanenitrile, 3-((2-(acetyloxy)ethyl)(4-(2-(2-(methylsulfonyl)-4-nitrophenyl)diazenyl)phenyl)amino)-, Propanenitrile, 3-[[2-(acetyloxy)ethyl][4-[2-[2-(methylsulfonyl)-4-nitrophenyl]diazenyl]phenyl]amino]-
| Molecular Formula | C20H21N5O6S |
|---|---|
| Molecular Weight | 459.12 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 166.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 10 |
| Exact Mass | 459.12125 |
| Heavy Atoms | 32 |
| Complexity | 820.0 |
Chemical Identifiers
| CAS Number | 63467-08-3 |
|---|---|
| SMILES | CC(=O)OCCN(CCC#N)C1=CC=C(C=C1)N=NC2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)C |
| InChIKey | BBCMFXGIGGXVPH-UHFFFAOYSA-N |
Product Overview
RefChem:869018 (CAS 63467-08-3), with molecular formula C20H21N5O6S and molecular weight 459.12 g/mol. IUPAC: 2-[N-(2-cyanoethyl)-4-[(2-methylsulfonyl-4-nitrophenyl)diazenyl]anilino]ethyl acetate.
Chemical Property Profile of RefChem:869018
Property Insights of RefChem:869018
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:869018. The TPSA of 166.0 Ų indicates high polarity, suggesting RefChem:869018 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:869018 has 0 hydrogen bond donor(s) and 10 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:869018?
The CAS number of RefChem:869018 is 63467-08-3.
What is the molecular formula of RefChem:869018?
The molecular formula of RefChem:869018 is C20H21N5O6S.
What is the molecular weight of RefChem:869018?
The molecular weight of RefChem:869018 is 459.12 g/mol.
Where can I buy RefChem:869018?
You can request a quote for RefChem:869018 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:869018?
Yes, KEHONG BIO provides custom synthesis services for RefChem:869018 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.