4-(3-Nitrophenoxy)butanenitrile
TL;DR: 4-(3-Nitrophenoxy)butanenitrile (CAS 19157-86-9) is a chemical compound with molecular formula C10H10N2O3 and molecular weight 206.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3-nitrophenoxy)butanenitrile
Also Known As: 4-(3-nitrophenoxy)butanenitrile, Butanenitrile, 4-(3-nitrophenoxy)-
| Molecular Formula | C10H10N2O3 |
|---|---|
| Molecular Weight | 206.07 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 78.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 206.06914 |
| Heavy Atoms | 15 |
| Complexity | 253.0 |
Chemical Identifiers
| CAS Number | 19157-86-9 |
|---|---|
| SMILES | C1=CC(=CC(=C1)OCCCC#N)[N+](=O)[O-] |
| InChIKey | QYCTZXYWWRYKRO-UHFFFAOYSA-N |
Product Overview
4-(3-Nitrophenoxy)butanenitrile (CAS 19157-86-9), with molecular formula C10H10N2O3 and molecular weight 206.07 g/mol. IUPAC: 4-(3-nitrophenoxy)butanenitrile.
Chemical Property Profile of 4-(3-Nitrophenoxy)butanenitrile
Property Insights of 4-(3-Nitrophenoxy)butanenitrile
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(3-Nitrophenoxy)butanenitrile. The TPSA of 78.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(3-Nitrophenoxy)butanenitrile. Following Lipinski's Rule of Five, 4-(3-Nitrophenoxy)butanenitrile has 0 hydrogen bond donor(s) and 4 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 4-(3-Nitrophenoxy)butanenitrile?
The CAS number of 4-(3-Nitrophenoxy)butanenitrile is 19157-86-9.
What is the molecular formula of 4-(3-Nitrophenoxy)butanenitrile?
The molecular formula of 4-(3-Nitrophenoxy)butanenitrile is C10H10N2O3.
What is the molecular weight of 4-(3-Nitrophenoxy)butanenitrile?
The molecular weight of 4-(3-Nitrophenoxy)butanenitrile is 206.07 g/mol.
Where can I buy 4-(3-Nitrophenoxy)butanenitrile?
You can request a quote for 4-(3-Nitrophenoxy)butanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(3-Nitrophenoxy)butanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-(3-Nitrophenoxy)butanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.