4-Chloro-6-methyl-3-(N-(4-nitrophenyl)iminomethyl)(2H)benzopyran
TL;DR: 4-Chloro-6-methyl-3-(N-(4-nitrophenyl)iminomethyl)(2H)benzopyran (CAS 110361-35-8) is a chemical compound with molecular formula C17H13ClN2O3 and molecular weight 328.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-chloro-6-methyl-2H-chromen-3-yl)-N-(4-nitrophenyl)methanimine
Also Known As: 4-Chloro-6-methyl-3-(N-(4-nitrophenyl)iminomethyl)(2H)benzopyran, 1-(4-chloro-6-methyl-2H-chromen-3-yl)-N-(4-nitrophenyl)methanimine, 4-chloro-6-methyl-3-(n-(4-nitrophenyl)iminomethyl)(2H)-benzopyran, N-((4-Chloro-6-methyl-2H-chromen-3-yl)methylene)-4-nitroaniline, (E)-1-(4-chloro-6-methyl-2H-chromen-3-yl)-N-(4-nitrophenyl)methanimine
| Molecular Formula | C17H13ClN2O3 |
|---|---|
| Molecular Weight | 328.06 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 67.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 328.06146 |
| Heavy Atoms | 23 |
| Complexity | 506.0 |
Chemical Identifiers
| CAS Number | 110361-35-8 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)OCC(=C2Cl)C=NC3=CC=C(C=C3)[N+](=O)[O-] |
| InChIKey | DGAXVXVPSZZJBE-UHFFFAOYSA-N |
Product Overview
4-Chloro-6-methyl-3-(N-(4-nitrophenyl)iminomethyl)(2H)benzopyran (CAS 110361-35-8), with molecular formula C17H13ClN2O3 and molecular weight 328.06 g/mol. IUPAC: 1-(4-chloro-6-methyl-2H-chromen-3-yl)-N-(4-nitrophenyl)methanimine.
Chemical Property Profile of 4-Chloro-6-methyl-3-(N-(4-nitrophenyl)iminomethyl)(2H)benzopyran
Property Insights of 4-Chloro-6-methyl-3-(N-(4-nitrophenyl)iminomethyl)(2H)benzopyran
The XLogP value of 3.8 indicates that 4-Chloro-6-methyl-3-(N-(4-nitrophenyl)iminomethyl)(2H)benzopyran is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Chloro-6-methyl-3-(N-(4-nitrophenyl)iminomethyl)(2H)benzopyran. Following Lipinski's Rule of Five, 4-Chloro-6-methyl-3-(N-(4-nitrophenyl)iminomethyl)(2H)benzopyran 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-Chloro-6-methyl-3-(N-(4-nitrophenyl)iminomethyl)(2H)benzopyran?
The CAS number of 4-Chloro-6-methyl-3-(N-(4-nitrophenyl)iminomethyl)(2H)benzopyran is 110361-35-8.
What is the molecular formula of 4-Chloro-6-methyl-3-(N-(4-nitrophenyl)iminomethyl)(2H)benzopyran?
The molecular formula of 4-Chloro-6-methyl-3-(N-(4-nitrophenyl)iminomethyl)(2H)benzopyran is C17H13ClN2O3.
What is the molecular weight of 4-Chloro-6-methyl-3-(N-(4-nitrophenyl)iminomethyl)(2H)benzopyran?
The molecular weight of 4-Chloro-6-methyl-3-(N-(4-nitrophenyl)iminomethyl)(2H)benzopyran is 328.06 g/mol.
Where can I buy 4-Chloro-6-methyl-3-(N-(4-nitrophenyl)iminomethyl)(2H)benzopyran?
You can request a quote for 4-Chloro-6-methyl-3-(N-(4-nitrophenyl)iminomethyl)(2H)benzopyran directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chloro-6-methyl-3-(N-(4-nitrophenyl)iminomethyl)(2H)benzopyran?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloro-6-methyl-3-(N-(4-nitrophenyl)iminomethyl)(2H)benzopyran and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.