2-Methoxyaniline; 1,3,5-trinitrobenzene
TL;DR: 2-Methoxyaniline; 1,3,5-trinitrobenzene (CAS 34875-98-4) is a chemical compound with molecular formula C13H12N4O7 and molecular weight 336.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methoxyaniline;1,3,5-trinitrobenzene
Also Known As: 2-methoxyaniline; 1,3,5-trinitrobenzene, 2-Methoxyaniline--1,3,5-trinitrobenzene (1/1)
| Molecular Formula | C13H12N4O7 |
|---|---|
| Molecular Weight | 336.07 g/mol |
| LogP | 2.6886 |
| Topological Polar Surface Area | 173.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 1 |
| Exact Mass | 336.0706 |
| Heavy Atoms | 24 |
| Complexity | 314.0 |
Chemical Identifiers
| CAS Number | 34875-98-4 |
|---|---|
| SMILES | COC1=CC=CC=C1N.C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | AIMVWCGMHCOYKA-UHFFFAOYSA-N |
Product Overview
2-Methoxyaniline; 1,3,5-trinitrobenzene (CAS 34875-98-4), with molecular formula C13H12N4O7 and molecular weight 336.07 g/mol. IUPAC: 2-methoxyaniline;1,3,5-trinitrobenzene.
Chemical Property Profile of 2-Methoxyaniline; 1,3,5-trinitrobenzene
Property Insights of 2-Methoxyaniline; 1,3,5-trinitrobenzene
The XLogP value of 2.6886 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methoxyaniline; 1,3,5-trinitrobenzene. The TPSA of 173.0 Ų indicates high polarity, suggesting 2-Methoxyaniline; 1,3,5-trinitrobenzene may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-Methoxyaniline; 1,3,5-trinitrobenzene has 1 hydrogen bond donor(s) and 8 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 2-Methoxyaniline; 1,3,5-trinitrobenzene?
The CAS number of 2-Methoxyaniline; 1,3,5-trinitrobenzene is 34875-98-4.
What is the molecular formula of 2-Methoxyaniline; 1,3,5-trinitrobenzene?
The molecular formula of 2-Methoxyaniline; 1,3,5-trinitrobenzene is C13H12N4O7.
What is the molecular weight of 2-Methoxyaniline; 1,3,5-trinitrobenzene?
The molecular weight of 2-Methoxyaniline; 1,3,5-trinitrobenzene is 336.07 g/mol.
Where can I buy 2-Methoxyaniline; 1,3,5-trinitrobenzene?
You can request a quote for 2-Methoxyaniline; 1,3,5-trinitrobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methoxyaniline; 1,3,5-trinitrobenzene?
Yes, KEHONG BIO provides custom synthesis services for 2-Methoxyaniline; 1,3,5-trinitrobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.