4-Nitro-5-(4-phenylmethoxyphenoxy)benzene-1,2-dicarbonitrile
TL;DR: 4-Nitro-5-(4-phenylmethoxyphenoxy)benzene-1,2-dicarbonitrile (CAS 355397-42-1) is a chemical compound with molecular formula C21H13N3O4 and molecular weight 371.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-nitro-5-(4-phenylmethoxyphenoxy)benzene-1,2-dicarbonitrile
Also Known As: 4-nitro-5-(4-phenylmethoxyphenoxy)benzene-1,2-dicarbonitrile, 4-[4-(benzyloxy)phenoxy]-5-nitrobenzene-1,2-dicarbonitrile, 4-[4-(BENZYLOXY)PHENOXY]-2-CYANO-5-NITROPHENYL CYANIDE
| Molecular Formula | C21H13N3O4 |
|---|---|
| Molecular Weight | 371.09 g/mol |
| LogP | 4.70946 |
| Topological Polar Surface Area | 109.18 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 371.0906 |
| Heavy Atoms | 28 |
| Complexity | 1081.6189 |
Chemical Identifiers
| CAS Number | 355397-42-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC2=CC=C(C=C2)OC3=C(C=C(C(=C3)C#N)C#N)[N+](=O)[O-] |
Product Overview
4-Nitro-5-(4-phenylmethoxyphenoxy)benzene-1,2-dicarbonitrile (CAS 355397-42-1), with molecular formula C21H13N3O4 and molecular weight 371.09 g/mol. IUPAC: 4-nitro-5-(4-phenylmethoxyphenoxy)benzene-1,2-dicarbonitrile.
Chemical Property Profile of 4-Nitro-5-(4-phenylmethoxyphenoxy)benzene-1,2-dicarbonitrile
Property Insights of 4-Nitro-5-(4-phenylmethoxyphenoxy)benzene-1,2-dicarbonitrile
The XLogP value of 4.70946 indicates that 4-Nitro-5-(4-phenylmethoxyphenoxy)benzene-1,2-dicarbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 109.18 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Nitro-5-(4-phenylmethoxyphenoxy)benzene-1,2-dicarbonitrile. Following Lipinski's Rule of Five, 4-Nitro-5-(4-phenylmethoxyphenoxy)benzene-1,2-dicarbonitrile has 0 hydrogen bond donor(s) and 6 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-Nitro-5-(4-phenylmethoxyphenoxy)benzene-1,2-dicarbonitrile?
The CAS number of 4-Nitro-5-(4-phenylmethoxyphenoxy)benzene-1,2-dicarbonitrile is 355397-42-1.
What is the molecular formula of 4-Nitro-5-(4-phenylmethoxyphenoxy)benzene-1,2-dicarbonitrile?
The molecular formula of 4-Nitro-5-(4-phenylmethoxyphenoxy)benzene-1,2-dicarbonitrile is C21H13N3O4.
What is the molecular weight of 4-Nitro-5-(4-phenylmethoxyphenoxy)benzene-1,2-dicarbonitrile?
The molecular weight of 4-Nitro-5-(4-phenylmethoxyphenoxy)benzene-1,2-dicarbonitrile is 371.09 g/mol.
Where can I buy 4-Nitro-5-(4-phenylmethoxyphenoxy)benzene-1,2-dicarbonitrile?
You can request a quote for 4-Nitro-5-(4-phenylmethoxyphenoxy)benzene-1,2-dicarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Nitro-5-(4-phenylmethoxyphenoxy)benzene-1,2-dicarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-Nitro-5-(4-phenylmethoxyphenoxy)benzene-1,2-dicarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.