![1,2-Dichloro-4-[1-(4-chlorophenyl)-2-nitrobutyl]benzene structure](/static/products/5791/5791-76-4.webp)
1,2-Dichloro-4-[1-(4-chlorophenyl)-2-nitrobutyl]benzene
TL;DR: 1,2-Dichloro-4-[1-(4-chlorophenyl)-2-nitrobutyl]benzene (CAS 5791-76-4) is a chemical compound with molecular formula C16H14Cl3NO2 and molecular weight 357.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2-dichloro-4-[1-(4-chlorophenyl)-2-nitrobutyl]benzene
Also Known As: Pentahomoserine, KST-1B5831, 1,2-dichloro-4-[1-(4-chlorophenyl)-2-nitrobutyl]benzene, 1-(4-CHLOROPHENYL)-1-(3,4-DICHLOROPHENYL)-2-NITROBUTANE, Benzene,1,2-dichloro-4-[1-(4-chlorophenyl)-2-nitrobutyl]-
| Molecular Formula | C16H14Cl3NO2 |
|---|---|
| Molecular Weight | 357.01 g/mol |
| LogP | 6.2 |
| Topological Polar Surface Area | 45.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 357.009 |
| Heavy Atoms | 22 |
| Complexity | 369.0 |
Chemical Identifiers
| CAS Number | 5791-76-4 |
|---|---|
| SMILES | CCC(C(C1=CC=C(C=C1)Cl)C2=CC(=C(C=C2)Cl)Cl)[N+](=O)[O-] |
| InChIKey | FYMLWUOEFLJYOV-UHFFFAOYSA-N |
Product Overview
1,2-Dichloro-4-[1-(4-chlorophenyl)-2-nitrobutyl]benzene (CAS 5791-76-4), with molecular formula C16H14Cl3NO2 and molecular weight 357.01 g/mol. IUPAC: 1,2-dichloro-4-[1-(4-chlorophenyl)-2-nitrobutyl]benzene.
Chemical Property Profile of 1,2-Dichloro-4-[1-(4-chlorophenyl)-2-nitrobutyl]benzene
Property Insights of 1,2-Dichloro-4-[1-(4-chlorophenyl)-2-nitrobutyl]benzene
The XLogP value of 6.2 indicates that 1,2-Dichloro-4-[1-(4-chlorophenyl)-2-nitrobutyl]benzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.8 Ų, 1,2-Dichloro-4-[1-(4-chlorophenyl)-2-nitrobutyl]benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2-Dichloro-4-[1-(4-chlorophenyl)-2-nitrobutyl]benzene has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,2-Dichloro-4-[1-(4-chlorophenyl)-2-nitrobutyl]benzene?
The CAS number of 1,2-Dichloro-4-[1-(4-chlorophenyl)-2-nitrobutyl]benzene is 5791-76-4.
What is the molecular formula of 1,2-Dichloro-4-[1-(4-chlorophenyl)-2-nitrobutyl]benzene?
The molecular formula of 1,2-Dichloro-4-[1-(4-chlorophenyl)-2-nitrobutyl]benzene is C16H14Cl3NO2.
What is the molecular weight of 1,2-Dichloro-4-[1-(4-chlorophenyl)-2-nitrobutyl]benzene?
The molecular weight of 1,2-Dichloro-4-[1-(4-chlorophenyl)-2-nitrobutyl]benzene is 357.01 g/mol.
Where can I buy 1,2-Dichloro-4-[1-(4-chlorophenyl)-2-nitrobutyl]benzene?
You can request a quote for 1,2-Dichloro-4-[1-(4-chlorophenyl)-2-nitrobutyl]benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2-Dichloro-4-[1-(4-chlorophenyl)-2-nitrobutyl]benzene?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Dichloro-4-[1-(4-chlorophenyl)-2-nitrobutyl]benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.