![3-bromo-4-methyl-N-[(6-nitro-1,3-benzodioxol-5-yl)methylene]aniline structure](/static/products/303/303213-12-9.png)
3-bromo-4-methyl-N-[(6-nitro-1,3-benzodioxol-5-yl)methylene]aniline
TL;DR: 3-bromo-4-methyl-N-[(6-nitro-1,3-benzodioxol-5-yl)methylene]aniline (CAS 303213-12-9) is a chemical compound with molecular formula C15H11BrN2O4 and molecular weight 361.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-bromo-4-methylphenyl)-1-(6-nitro-1,3-benzodioxol-5-yl)methanimine
Also Known As: BAS 00484956, 3-bromo-4-methyl-N-[(6-nitro-1,3-benzodioxol-5-yl)methylene]aniline, A1201/0055313, (3-bromo-4-methylphenyl)[(6-nitro-1,3-benzodioxol-5-yl)methylene]amine, N-(3-bromo-4-methylphenyl)-1-(6-nitro-1,3-benzodioxol-5-yl)methanimine
| Molecular Formula | C15H11BrN2O4 |
|---|---|
| Molecular Weight | 361.99 g/mol |
| LogP | 4.14502 |
| Topological Polar Surface Area | 73.96 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 361.99023 |
| Heavy Atoms | 22 |
| Complexity | 789.3522 |
Chemical Identifiers
| CAS Number | 303213-12-9 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)N=CC2=CC3=C(C=C2[N+](=O)[O-])OCO3)Br |
Product Overview
3-bromo-4-methyl-N-[(6-nitro-1,3-benzodioxol-5-yl)methylene]aniline (CAS 303213-12-9), with molecular formula C15H11BrN2O4 and molecular weight 361.99 g/mol. IUPAC: N-(3-bromo-4-methylphenyl)-1-(6-nitro-1,3-benzodioxol-5-yl)methanimine.
Chemical Property Profile of 3-bromo-4-methyl-N-[(6-nitro-1,3-benzodioxol-5-yl)methylene]aniline
Property Insights of 3-bromo-4-methyl-N-[(6-nitro-1,3-benzodioxol-5-yl)methylene]aniline
The XLogP value of 4.14502 indicates that 3-bromo-4-methyl-N-[(6-nitro-1,3-benzodioxol-5-yl)methylene]aniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.96 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-bromo-4-methyl-N-[(6-nitro-1,3-benzodioxol-5-yl)methylene]aniline. Following Lipinski's Rule of Five, 3-bromo-4-methyl-N-[(6-nitro-1,3-benzodioxol-5-yl)methylene]aniline 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 3-bromo-4-methyl-N-[(6-nitro-1,3-benzodioxol-5-yl)methylene]aniline?
The CAS number of 3-bromo-4-methyl-N-[(6-nitro-1,3-benzodioxol-5-yl)methylene]aniline is 303213-12-9.
What is the molecular formula of 3-bromo-4-methyl-N-[(6-nitro-1,3-benzodioxol-5-yl)methylene]aniline?
The molecular formula of 3-bromo-4-methyl-N-[(6-nitro-1,3-benzodioxol-5-yl)methylene]aniline is C15H11BrN2O4.
What is the molecular weight of 3-bromo-4-methyl-N-[(6-nitro-1,3-benzodioxol-5-yl)methylene]aniline?
The molecular weight of 3-bromo-4-methyl-N-[(6-nitro-1,3-benzodioxol-5-yl)methylene]aniline is 361.99 g/mol.
Where can I buy 3-bromo-4-methyl-N-[(6-nitro-1,3-benzodioxol-5-yl)methylene]aniline?
You can request a quote for 3-bromo-4-methyl-N-[(6-nitro-1,3-benzodioxol-5-yl)methylene]aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-bromo-4-methyl-N-[(6-nitro-1,3-benzodioxol-5-yl)methylene]aniline?
Yes, KEHONG BIO provides custom synthesis services for 3-bromo-4-methyl-N-[(6-nitro-1,3-benzodioxol-5-yl)methylene]aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.