3-Benzyloxy-4-bromonitrobenzene
TL;DR: 3-Benzyloxy-4-bromonitrobenzene (CAS 7252-17-7) is a chemical compound with molecular formula C13H10BrNO3 and molecular weight 306.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-bromo-4-nitro-2-phenylmethoxybenzene
Also Known As: 3-benzyloxy-4-bromonitrobenzene, 2-(benzyloxy)-1-bromo-4-nitrobenzene, 1-bromo-4-nitro-2-phenylmethoxybenzene, 2-bromo-5-nitro-O-benzylphenol, benzyl-(2-bromo-5-nitro-phenyl)-ether
| Molecular Formula | C13H10BrNO3 |
|---|---|
| Molecular Weight | 306.98 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 55.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 306.9844 |
| Heavy Atoms | 18 |
| Complexity | 276.0 |
Chemical Identifiers
| CAS Number | 7252-17-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC2=C(C=CC(=C2)[N+](=O)[O-])Br |
| InChIKey | QSHXUXBAVCVDPB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Benzyloxy-4-bromonitrobenzene (CAS 7252-17-7), with molecular formula C13H10BrNO3 and molecular weight 306.98 g/mol. IUPAC: 1-bromo-4-nitro-2-phenylmethoxybenzene.
Chemical Property Profile of 3-Benzyloxy-4-bromonitrobenzene
Property Insights of 3-Benzyloxy-4-bromonitrobenzene
The XLogP value of 3.9 indicates that 3-Benzyloxy-4-bromonitrobenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.1 Ų, 3-Benzyloxy-4-bromonitrobenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Benzyloxy-4-bromonitrobenzene has 0 hydrogen bond donor(s) and 3 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-Benzyloxy-4-bromonitrobenzene?
The CAS number of 3-Benzyloxy-4-bromonitrobenzene is 7252-17-7.
What is the molecular formula of 3-Benzyloxy-4-bromonitrobenzene?
The molecular formula of 3-Benzyloxy-4-bromonitrobenzene is C13H10BrNO3.
What is the molecular weight of 3-Benzyloxy-4-bromonitrobenzene?
The molecular weight of 3-Benzyloxy-4-bromonitrobenzene is 306.98 g/mol.
Where can I buy 3-Benzyloxy-4-bromonitrobenzene?
You can request a quote for 3-Benzyloxy-4-bromonitrobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Benzyloxy-4-bromonitrobenzene?
Yes, KEHONG BIO provides custom synthesis services for 3-Benzyloxy-4-bromonitrobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.