![(5-bromothiophen-2-yl)methyl-methyl-[2-(2-methyl-6-nitroanilino)-2-oxoethyl]azanium structure](/static/products/128/1286743-39-2.webp)
(5-bromothiophen-2-yl)methyl-methyl-[2-(2-methyl-6-nitroanilino)-2-oxoethyl]azanium
TL;DR: (5-bromothiophen-2-yl)methyl-methyl-[2-(2-methyl-6-nitroanilino)-2-oxoethyl]azanium (CAS 1286743-39-2) is a chemical compound with molecular formula C15H17BrN3O3S+ and molecular weight 398.0174 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(5-bromothiophen-2-yl)methyl-methyl-[2-(2-methyl-6-nitroanilino)-2-oxoethyl]azanium
Also Known As: (5-bromothiophen-2-yl)methyl-methyl-[2-(2-methyl-6-nitroanilino)-2-oxoethyl]azanium
Technical Specifications
| Molecular Formula | C15H17BrN3O3S+ |
| Molecular Weight | 398.0174 g/mol |
| XLogP | 4.1 |
| Topological Polar Surface Area (TPSA) | 108.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 398.0174 Da |
| Heavy Atoms | 23 |
| Complexity | 435.0 |
| SMILES | CC1=C(C(=CC=C1)[N+](=O)[O-])NC(=O)C[NH+](C)CC2=CC=C(S2)Br |
| InChIKey | XFCJHYPVESESRG-UHFFFAOYSA-O |
Chemical Property Profile of (5-bromothiophen-2-yl)methyl-methyl-[2-(2-methyl-6-nitroanilino)-2-oxoethyl]azanium
Property Insights of (5-bromothiophen-2-yl)methyl-methyl-[2-(2-methyl-6-nitroanilino)-2-oxoethyl]azanium
The XLogP value of 4.1 indicates that (5-bromothiophen-2-yl)methyl-methyl-[2-(2-methyl-6-nitroanilino)-2-oxoethyl]azanium is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 108.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (5-bromothiophen-2-yl)methyl-methyl-[2-(2-methyl-6-nitroanilino)-2-oxoethyl]azanium. Following Lipinski's Rule of Five, (5-bromothiophen-2-yl)methyl-methyl-[2-(2-methyl-6-nitroanilino)-2-oxoethyl]azanium has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of (5-bromothiophen-2-yl)methyl-methyl-[2-(2-methyl-6-nitroanilino)-2-oxoethyl]azanium?
The CAS number of (5-bromothiophen-2-yl)methyl-methyl-[2-(2-methyl-6-nitroanilino)-2-oxoethyl]azanium is 1286743-39-2.
What is the molecular formula of (5-bromothiophen-2-yl)methyl-methyl-[2-(2-methyl-6-nitroanilino)-2-oxoethyl]azanium?
The molecular formula of (5-bromothiophen-2-yl)methyl-methyl-[2-(2-methyl-6-nitroanilino)-2-oxoethyl]azanium is C15H17BrN3O3S+.
What is the molecular weight of (5-bromothiophen-2-yl)methyl-methyl-[2-(2-methyl-6-nitroanilino)-2-oxoethyl]azanium?
The molecular weight of (5-bromothiophen-2-yl)methyl-methyl-[2-(2-methyl-6-nitroanilino)-2-oxoethyl]azanium is 398.0174 g/mol.
Where can I buy (5-bromothiophen-2-yl)methyl-methyl-[2-(2-methyl-6-nitroanilino)-2-oxoethyl]azanium?
You can request a quote for (5-bromothiophen-2-yl)methyl-methyl-[2-(2-methyl-6-nitroanilino)-2-oxoethyl]azanium directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (5-bromothiophen-2-yl)methyl-methyl-[2-(2-methyl-6-nitroanilino)-2-oxoethyl]azanium?
Yes, CoreyChem provides custom synthesis services for (5-bromothiophen-2-yl)methyl-methyl-[2-(2-methyl-6-nitroanilino)-2-oxoethyl]azanium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.