2-(3-Bromopropoxy)-1-chloro-4-nitrobenzene
TL;DR: 2-(3-Bromopropoxy)-1-chloro-4-nitrobenzene (CAS 31191-46-5) is a chemical compound with molecular formula C9H9BrClNO3 and molecular weight 292.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-bromopropoxy)-1-chloro-4-nitrobenzene
Also Known As: 2-(3-bromopropoxy)-1-chloro-4-nitrobenzene, 2-(3-bromo-propoxy)-1-chloro-4-nitro benzene
| Molecular Formula | C9H9BrClNO3 |
|---|---|
| Molecular Weight | 292.95 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 55.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 292.94543 |
| Heavy Atoms | 15 |
| Complexity | 212.0 |
Chemical Identifiers
| CAS Number | 31191-46-5 |
|---|---|
| SMILES | C1=CC(=C(C=C1[N+](=O)[O-])OCCCBr)Cl |
| InChIKey | FTGLGZDMOLDOKL-UHFFFAOYSA-N |
Product Overview
2-(3-Bromopropoxy)-1-chloro-4-nitrobenzene (CAS 31191-46-5), with molecular formula C9H9BrClNO3 and molecular weight 292.95 g/mol. IUPAC: 2-(3-bromopropoxy)-1-chloro-4-nitrobenzene.
Chemical Property Profile of 2-(3-Bromopropoxy)-1-chloro-4-nitrobenzene
Property Insights of 2-(3-Bromopropoxy)-1-chloro-4-nitrobenzene
The XLogP value of 3.5 indicates that 2-(3-Bromopropoxy)-1-chloro-4-nitrobenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.1 Ų, 2-(3-Bromopropoxy)-1-chloro-4-nitrobenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(3-Bromopropoxy)-1-chloro-4-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 2-(3-Bromopropoxy)-1-chloro-4-nitrobenzene?
The CAS number of 2-(3-Bromopropoxy)-1-chloro-4-nitrobenzene is 31191-46-5.
What is the molecular formula of 2-(3-Bromopropoxy)-1-chloro-4-nitrobenzene?
The molecular formula of 2-(3-Bromopropoxy)-1-chloro-4-nitrobenzene is C9H9BrClNO3.
What is the molecular weight of 2-(3-Bromopropoxy)-1-chloro-4-nitrobenzene?
The molecular weight of 2-(3-Bromopropoxy)-1-chloro-4-nitrobenzene is 292.95 g/mol.
Where can I buy 2-(3-Bromopropoxy)-1-chloro-4-nitrobenzene?
You can request a quote for 2-(3-Bromopropoxy)-1-chloro-4-nitrobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3-Bromopropoxy)-1-chloro-4-nitrobenzene?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-Bromopropoxy)-1-chloro-4-nitrobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.