1-(3-Bromo-6-hydroxy-2-methoxy-5-nitrophenyl)ethanone
TL;DR: 1-(3-Bromo-6-hydroxy-2-methoxy-5-nitrophenyl)ethanone (CAS 93957-49-4) is a chemical compound with molecular formula C9H8BrNO5 and molecular weight 288.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(5-bromo-2-hydroxy-6-methoxy-3-nitrophenyl)ethanone
Also Known As: NCIOpen2_003260, KST-1B9368, 1-(3-bromo-6-hydroxy-2-methoxy-5-nitrophenyl)ethanone, 1-(5-bromo-2-hydroxy-6-methoxy-3-nitrophenyl)ethanone, 1-(3-Bromo-6-hydroxy-2-methoxy-5-nitrophenyl)ethan-1-one
| Molecular Formula | C9H8BrNO5 |
|---|---|
| Molecular Weight | 288.96 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 92.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 288.9586 |
| Heavy Atoms | 16 |
| Complexity | 292.0 |
Chemical Identifiers
| CAS Number | 93957-49-4 |
|---|---|
| SMILES | CC(=O)C1=C(C(=CC(=C1OC)Br)[N+](=O)[O-])O |
| InChIKey | FSDPWNYTSUICQP-UHFFFAOYSA-N |
Product Overview
1-(3-Bromo-6-hydroxy-2-methoxy-5-nitrophenyl)ethanone (CAS 93957-49-4), with molecular formula C9H8BrNO5 and molecular weight 288.96 g/mol. IUPAC: 1-(5-bromo-2-hydroxy-6-methoxy-3-nitrophenyl)ethanone.
Chemical Property Profile of 1-(3-Bromo-6-hydroxy-2-methoxy-5-nitrophenyl)ethanone
Property Insights of 1-(3-Bromo-6-hydroxy-2-methoxy-5-nitrophenyl)ethanone
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3-Bromo-6-hydroxy-2-methoxy-5-nitrophenyl)ethanone. The TPSA of 92.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(3-Bromo-6-hydroxy-2-methoxy-5-nitrophenyl)ethanone. Following Lipinski's Rule of Five, 1-(3-Bromo-6-hydroxy-2-methoxy-5-nitrophenyl)ethanone has 1 hydrogen bond donor(s) and 5 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-(3-Bromo-6-hydroxy-2-methoxy-5-nitrophenyl)ethanone?
The CAS number of 1-(3-Bromo-6-hydroxy-2-methoxy-5-nitrophenyl)ethanone is 93957-49-4.
What is the molecular formula of 1-(3-Bromo-6-hydroxy-2-methoxy-5-nitrophenyl)ethanone?
The molecular formula of 1-(3-Bromo-6-hydroxy-2-methoxy-5-nitrophenyl)ethanone is C9H8BrNO5.
What is the molecular weight of 1-(3-Bromo-6-hydroxy-2-methoxy-5-nitrophenyl)ethanone?
The molecular weight of 1-(3-Bromo-6-hydroxy-2-methoxy-5-nitrophenyl)ethanone is 288.96 g/mol.
Where can I buy 1-(3-Bromo-6-hydroxy-2-methoxy-5-nitrophenyl)ethanone?
You can request a quote for 1-(3-Bromo-6-hydroxy-2-methoxy-5-nitrophenyl)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3-Bromo-6-hydroxy-2-methoxy-5-nitrophenyl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-Bromo-6-hydroxy-2-methoxy-5-nitrophenyl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.