1,4-Dibromo-2,5-dimethyl-3-nitrobenzene
TL;DR: 1,4-Dibromo-2,5-dimethyl-3-nitrobenzene (CAS 3463-44-3) is a chemical compound with molecular formula C8H7Br2NO2 and molecular weight 306.88 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,4-dibromo-2,5-dimethyl-3-nitrobenzene
Also Known As: 1,4-Dibromo-2,5-dimethyl-3-nitrobenzene, 2,5-Dibromo-3-nitro-p-xylene, 2,5-Dibromo-3-nitro-1,4-dimethylbenzene, 1,4-dibromo-2,5-dimethyl-3-nitro-benzene, 1,4-Dibromo-2,5-dimethyl-3-nitrobenzene #
| Molecular Formula | C8H7Br2NO2 |
|---|---|
| Molecular Weight | 306.88 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 45.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 306.88434 |
| Heavy Atoms | 13 |
| Complexity | 207.0 |
Chemical Identifiers
| CAS Number | 3463-44-3 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1Br)[N+](=O)[O-])C)Br |
| InChIKey | SAZQHRSOIUISAM-UHFFFAOYSA-N |
Product Overview
1,4-Dibromo-2,5-dimethyl-3-nitrobenzene (CAS 3463-44-3), with molecular formula C8H7Br2NO2 and molecular weight 306.88 g/mol. IUPAC: 1,4-dibromo-2,5-dimethyl-3-nitrobenzene.
Chemical Property Profile of 1,4-Dibromo-2,5-dimethyl-3-nitrobenzene
Property Insights of 1,4-Dibromo-2,5-dimethyl-3-nitrobenzene
The XLogP value of 3.9 indicates that 1,4-Dibromo-2,5-dimethyl-3-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, 1,4-Dibromo-2,5-dimethyl-3-nitrobenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4-Dibromo-2,5-dimethyl-3-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 1,4-Dibromo-2,5-dimethyl-3-nitrobenzene?
The CAS number of 1,4-Dibromo-2,5-dimethyl-3-nitrobenzene is 3463-44-3.
What is the molecular formula of 1,4-Dibromo-2,5-dimethyl-3-nitrobenzene?
The molecular formula of 1,4-Dibromo-2,5-dimethyl-3-nitrobenzene is C8H7Br2NO2.
What is the molecular weight of 1,4-Dibromo-2,5-dimethyl-3-nitrobenzene?
The molecular weight of 1,4-Dibromo-2,5-dimethyl-3-nitrobenzene is 306.88 g/mol.
Where can I buy 1,4-Dibromo-2,5-dimethyl-3-nitrobenzene?
You can request a quote for 1,4-Dibromo-2,5-dimethyl-3-nitrobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Dibromo-2,5-dimethyl-3-nitrobenzene?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Dibromo-2,5-dimethyl-3-nitrobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.