3-Bromo-1,2,4-trimethyl-5-nitrobenzene
TL;DR: 3-Bromo-1,2,4-trimethyl-5-nitrobenzene (CAS 18087-51-9) is a chemical compound with molecular formula C9H10BrNO2 and molecular weight 242.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-bromo-1,2,4-trimethyl-5-nitrobenzene
Also Known As: NCIStruc1_000675, NCIStruc2_000778, 3-bromo-1,2,4-trimethyl-5-nitrobenzene, NCI60_002221, (3-bromo-2,4,5-trimethylphenyl)(hydroxy)azane oxide
| Molecular Formula | C9H10BrNO2 |
|---|---|
| Molecular Weight | 242.99 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 45.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 242.98949 |
| Heavy Atoms | 13 |
| Complexity | 204.0 |
Chemical Identifiers
| CAS Number | 18087-51-9 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1C)Br)C)[N+](=O)[O-] |
| InChIKey | KPQBZJCFTJHRJU-UHFFFAOYSA-N |
Product Overview
3-Bromo-1,2,4-trimethyl-5-nitrobenzene (CAS 18087-51-9), with molecular formula C9H10BrNO2 and molecular weight 242.99 g/mol. IUPAC: 3-bromo-1,2,4-trimethyl-5-nitrobenzene.
Chemical Property Profile of 3-Bromo-1,2,4-trimethyl-5-nitrobenzene
Property Insights of 3-Bromo-1,2,4-trimethyl-5-nitrobenzene
The XLogP value of 3.5 indicates that 3-Bromo-1,2,4-trimethyl-5-nitrobenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.8 Ų, 3-Bromo-1,2,4-trimethyl-5-nitrobenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Bromo-1,2,4-trimethyl-5-nitrobenzene has 0 hydrogen bond donor(s) and 2 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-1,2,4-trimethyl-5-nitrobenzene?
The CAS number of 3-Bromo-1,2,4-trimethyl-5-nitrobenzene is 18087-51-9.
What is the molecular formula of 3-Bromo-1,2,4-trimethyl-5-nitrobenzene?
The molecular formula of 3-Bromo-1,2,4-trimethyl-5-nitrobenzene is C9H10BrNO2.
What is the molecular weight of 3-Bromo-1,2,4-trimethyl-5-nitrobenzene?
The molecular weight of 3-Bromo-1,2,4-trimethyl-5-nitrobenzene is 242.99 g/mol.
Where can I buy 3-Bromo-1,2,4-trimethyl-5-nitrobenzene?
You can request a quote for 3-Bromo-1,2,4-trimethyl-5-nitrobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Bromo-1,2,4-trimethyl-5-nitrobenzene?
Yes, KEHONG BIO provides custom synthesis services for 3-Bromo-1,2,4-trimethyl-5-nitrobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.