1-(3-Bromopropoxy)-2-nitrobenzene
TL;DR: 1-(3-Bromopropoxy)-2-nitrobenzene (CAS 104147-77-5) is a chemical compound with molecular formula C9H10BrNO3 and molecular weight 258.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-bromopropoxy)-2-nitrobenzene
Also Known As: 1-(3-bromopropoxy)-2-nitrobenzene, 2-Nitrophenoxypropylbromide, 1-(3-bromo-propoxy)-2-nitro-benzene, 3-Chloro-1-(5-fluoro-2-hydroxyphenyl)propan-1-one, RefChem:224238
| Molecular Formula | C9H10BrNO3 |
|---|---|
| Molecular Weight | 258.98 g/mol |
| LogP | 2.7586 |
| Topological Polar Surface Area | 52.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 258.9844 |
| Heavy Atoms | 14 |
| Complexity | 316.6803 |
Chemical Identifiers
| CAS Number | 104147-77-5 |
|---|---|
| SMILES | C1=CC=C(C(=C1)[N+](=O)[O-])OCCCBr |
Product Overview
1-(3-Bromopropoxy)-2-nitrobenzene (CAS 104147-77-5), with molecular formula C9H10BrNO3 and molecular weight 258.98 g/mol. IUPAC: 1-(3-bromopropoxy)-2-nitrobenzene.
Chemical Property Profile of 1-(3-Bromopropoxy)-2-nitrobenzene
Property Insights of 1-(3-Bromopropoxy)-2-nitrobenzene
The XLogP value of 2.7586 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3-Bromopropoxy)-2-nitrobenzene. With a topological polar surface area (TPSA) of 52.37 Ų, 1-(3-Bromopropoxy)-2-nitrobenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3-Bromopropoxy)-2-nitrobenzene 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 1-(3-Bromopropoxy)-2-nitrobenzene?
The CAS number of 1-(3-Bromopropoxy)-2-nitrobenzene is 104147-77-5.
What is the molecular formula of 1-(3-Bromopropoxy)-2-nitrobenzene?
The molecular formula of 1-(3-Bromopropoxy)-2-nitrobenzene is C9H10BrNO3.
What is the molecular weight of 1-(3-Bromopropoxy)-2-nitrobenzene?
The molecular weight of 1-(3-Bromopropoxy)-2-nitrobenzene is 258.98 g/mol.
Where can I buy 1-(3-Bromopropoxy)-2-nitrobenzene?
You can request a quote for 1-(3-Bromopropoxy)-2-nitrobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3-Bromopropoxy)-2-nitrobenzene?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-Bromopropoxy)-2-nitrobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.