(1,2-Dibromo-2-nitroethyl)benzene
TL;DR: (1,2-Dibromo-2-nitroethyl)benzene (CAS 38916-39-1) 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.
(1,2-dibromo-2-nitroethyl)benzene
Also Known As: (1,2-dibromo-2-nitroethyl)benzene, 1,2-Dibromo-2-nitro-1-phenylethane, 1-Phenyl-1,2-dibromo-2-nitroethane, 1,2-dibromo-2-nitroethylbenzene, Benzene, (1,2-dibromo-2-nitroethyl)-
| Molecular Formula | C8H7Br2NO2 |
|---|---|
| Molecular Weight | 306.88 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 45.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 306.88434 |
| Heavy Atoms | 13 |
| Complexity | 177.0 |
Chemical Identifiers
| CAS Number | 38916-39-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(C([N+](=O)[O-])Br)Br |
| InChIKey | DNKILUKMZPEIEV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(1,2-Dibromo-2-nitroethyl)benzene (CAS 38916-39-1), with molecular formula C8H7Br2NO2 and molecular weight 306.88 g/mol. IUPAC: (1,2-dibromo-2-nitroethyl)benzene.
Chemical Property Profile of (1,2-Dibromo-2-nitroethyl)benzene
Property Insights of (1,2-Dibromo-2-nitroethyl)benzene
The XLogP value of 3.2 indicates that (1,2-Dibromo-2-nitroethyl)benzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.8 Ų, (1,2-Dibromo-2-nitroethyl)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (1,2-Dibromo-2-nitroethyl)benzene 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 (1,2-Dibromo-2-nitroethyl)benzene?
The CAS number of (1,2-Dibromo-2-nitroethyl)benzene is 38916-39-1.
What is the molecular formula of (1,2-Dibromo-2-nitroethyl)benzene?
The molecular formula of (1,2-Dibromo-2-nitroethyl)benzene is C8H7Br2NO2.
What is the molecular weight of (1,2-Dibromo-2-nitroethyl)benzene?
The molecular weight of (1,2-Dibromo-2-nitroethyl)benzene is 306.88 g/mol.
Where can I buy (1,2-Dibromo-2-nitroethyl)benzene?
You can request a quote for (1,2-Dibromo-2-nitroethyl)benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1,2-Dibromo-2-nitroethyl)benzene?
Yes, KEHONG BIO provides custom synthesis services for (1,2-Dibromo-2-nitroethyl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.