4-(4-Chloro-3-methylphenoxy)-5-nitrobenzene-1,2-dicarbonitrile
TL;DR: 4-(4-Chloro-3-methylphenoxy)-5-nitrobenzene-1,2-dicarbonitrile (CAS 355397-34-1) is a chemical compound with molecular formula C15H8ClN3O3 and molecular weight 313.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-chloro-3-methylphenoxy)-5-nitrobenzene-1,2-dicarbonitrile
Also Known As: 4-(4-chloro-3-methylphenoxy)-5-nitrophthalonitrile, 4-(4-chloro-3-methylphenoxy)-5-nitrobenzene-1,2-dicarbonitrile, 4-(4-CHLORO-3-METHYLPHENOXY)-2-CYANO-5-NITROPHENYL CYANIDE
| Molecular Formula | C15H8ClN3O3 |
|---|---|
| Molecular Weight | 313.03 g/mol |
| LogP | 4.09228 |
| Topological Polar Surface Area | 99.95 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 313.02542 |
| Heavy Atoms | 22 |
| Complexity | 850.3319 |
Chemical Identifiers
| CAS Number | 355397-34-1 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)OC2=C(C=C(C(=C2)C#N)C#N)[N+](=O)[O-])Cl |
Product Overview
4-(4-Chloro-3-methylphenoxy)-5-nitrobenzene-1,2-dicarbonitrile (CAS 355397-34-1), with molecular formula C15H8ClN3O3 and molecular weight 313.03 g/mol. IUPAC: 4-(4-chloro-3-methylphenoxy)-5-nitrobenzene-1,2-dicarbonitrile.
Chemical Property Profile of 4-(4-Chloro-3-methylphenoxy)-5-nitrobenzene-1,2-dicarbonitrile
Property Insights of 4-(4-Chloro-3-methylphenoxy)-5-nitrobenzene-1,2-dicarbonitrile
The XLogP value of 4.09228 indicates that 4-(4-Chloro-3-methylphenoxy)-5-nitrobenzene-1,2-dicarbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.95 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(4-Chloro-3-methylphenoxy)-5-nitrobenzene-1,2-dicarbonitrile. Following Lipinski's Rule of Five, 4-(4-Chloro-3-methylphenoxy)-5-nitrobenzene-1,2-dicarbonitrile has 0 hydrogen bond donor(s) and 5 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-(4-Chloro-3-methylphenoxy)-5-nitrobenzene-1,2-dicarbonitrile?
The CAS number of 4-(4-Chloro-3-methylphenoxy)-5-nitrobenzene-1,2-dicarbonitrile is 355397-34-1.
What is the molecular formula of 4-(4-Chloro-3-methylphenoxy)-5-nitrobenzene-1,2-dicarbonitrile?
The molecular formula of 4-(4-Chloro-3-methylphenoxy)-5-nitrobenzene-1,2-dicarbonitrile is C15H8ClN3O3.
What is the molecular weight of 4-(4-Chloro-3-methylphenoxy)-5-nitrobenzene-1,2-dicarbonitrile?
The molecular weight of 4-(4-Chloro-3-methylphenoxy)-5-nitrobenzene-1,2-dicarbonitrile is 313.03 g/mol.
Where can I buy 4-(4-Chloro-3-methylphenoxy)-5-nitrobenzene-1,2-dicarbonitrile?
You can request a quote for 4-(4-Chloro-3-methylphenoxy)-5-nitrobenzene-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-(4-Chloro-3-methylphenoxy)-5-nitrobenzene-1,2-dicarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-Chloro-3-methylphenoxy)-5-nitrobenzene-1,2-dicarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.