RefChem:275501
TL;DR: RefChem:275501 (CAS 26215-07-6) is a chemical compound with molecular formula C18H19N5O4S and molecular weight 401.11578 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[N-ethyl-4-[(2-methylsulfonyl-4-nitrophenyl)diazenyl]anilino]propanenitrile
Also Known As: Propanenitrile, 3-[ethyl[4-[[2-(methylsulfonyl)-4-nitrophenyl]azo]phenyl]amino]-, 4-((4-Nitro-2-(methylsulfonyl)phenyl)azo)-N-(2-cyanoethyl)-N-ethylaniline, 3-[Ethyl[4-[[2- -4-nitrophenyl]azo]phenyl]amino]propanenitrile, Propanenitrile, 3-(ethyl(4-((2-(methylsulfonyl)-4-nitrophenyl)azo)phenyl)amino)-, Propanenitrile, 3-(ethyl(4-(2-(2-(methylsulfonyl)-4-nitrophenyl)diazenyl)phenyl)amino)-
Technical Specifications
| Molecular Formula | C18H19N5O4S |
| Molecular Weight | 401.11578 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 140.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 401.11578 Da |
| Heavy Atoms | 28 |
| Complexity | 698.0 |
| SMILES | CCN(CCC#N)C1=CC=C(C=C1)N=NC2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)C |
| InChIKey | RMHZCBZFYDLFLM-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:275501
Property Insights of RefChem:275501
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:275501. The TPSA of 140.0 Ų indicates high polarity, suggesting RefChem:275501 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:275501 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
What is the CAS number of RefChem:275501?
The CAS number of RefChem:275501 is 26215-07-6.
What is the molecular formula of RefChem:275501?
The molecular formula of RefChem:275501 is C18H19N5O4S.
What is the molecular weight of RefChem:275501?
The molecular weight of RefChem:275501 is 401.11578 g/mol.
Where can I buy RefChem:275501?
You can request a quote for RefChem:275501 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:275501?
Yes, CoreyChem provides custom synthesis services for RefChem:275501 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.