2-(4-Bromobutoxy)-1-chloro-4-nitrobenzene
TL;DR: 2-(4-Bromobutoxy)-1-chloro-4-nitrobenzene (CAS 31191-47-6) is a chemical compound with molecular formula C10H11BrClNO3 and molecular weight 306.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-bromobutoxy)-1-chloro-4-nitrobenzene
Also Known As: 2-(4-bromobutoxy)-1-chloro-4-nitrobenzene, Benzene, 2-(4-bromobutoxy)-1-chloro-4-nitro-
| Molecular Formula | C10H11BrClNO3 |
|---|---|
| Molecular Weight | 306.96 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 55.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 306.9611 |
| Heavy Atoms | 16 |
| Complexity | 225.0 |
Chemical Identifiers
| CAS Number | 31191-47-6 |
|---|---|
| SMILES | C1=CC(=C(C=C1[N+](=O)[O-])OCCCCBr)Cl |
| InChIKey | RQGRGVSKRHJJON-UHFFFAOYSA-N |
Product Overview
2-(4-Bromobutoxy)-1-chloro-4-nitrobenzene (CAS 31191-47-6), with molecular formula C10H11BrClNO3 and molecular weight 306.96 g/mol. IUPAC: 2-(4-bromobutoxy)-1-chloro-4-nitrobenzene.
Chemical Property Profile of 2-(4-Bromobutoxy)-1-chloro-4-nitrobenzene
Property Insights of 2-(4-Bromobutoxy)-1-chloro-4-nitrobenzene
The XLogP value of 3.8 indicates that 2-(4-Bromobutoxy)-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-(4-Bromobutoxy)-1-chloro-4-nitrobenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-Bromobutoxy)-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-(4-Bromobutoxy)-1-chloro-4-nitrobenzene?
The CAS number of 2-(4-Bromobutoxy)-1-chloro-4-nitrobenzene is 31191-47-6.
What is the molecular formula of 2-(4-Bromobutoxy)-1-chloro-4-nitrobenzene?
The molecular formula of 2-(4-Bromobutoxy)-1-chloro-4-nitrobenzene is C10H11BrClNO3.
What is the molecular weight of 2-(4-Bromobutoxy)-1-chloro-4-nitrobenzene?
The molecular weight of 2-(4-Bromobutoxy)-1-chloro-4-nitrobenzene is 306.96 g/mol.
Where can I buy 2-(4-Bromobutoxy)-1-chloro-4-nitrobenzene?
You can request a quote for 2-(4-Bromobutoxy)-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-(4-Bromobutoxy)-1-chloro-4-nitrobenzene?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Bromobutoxy)-1-chloro-4-nitrobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.