p-Phenylenediamine (8CI), N-butyl-N'-phenyl-
TL;DR: p-Phenylenediamine (8CI), N-butyl-N'-phenyl- (CAS 4560-43-4) is a chemical compound with molecular formula C16H20N2 and molecular weight 240.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-N-butyl-4-N-phenylbenzene-1,4-diamine
Also Known As: 1, N-butyl-N'-phenyl-, 1-N-butyl-4-N-phenylbenzene-1,4-diamine, n-butyl-n'-phenyl-1,4-benzenediamine, p-Phenylenediamine (8CI), N-butyl-N'-phenyl-, N-BUTYL-PARA-AMINODIPHENYLAMINE
| Molecular Formula | C16H20N2 |
|---|---|
| Molecular Weight | 240.16 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 24.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 240.16264 |
| Heavy Atoms | 18 |
| Complexity | 203.0 |
Chemical Identifiers
| CAS Number | 4560-43-4 |
|---|---|
| SMILES | CCCCNC1=CC=C(C=C1)NC2=CC=CC=C2 |
| InChIKey | PIPXINMICYUFAD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
p-Phenylenediamine (8CI), N-butyl-N'-phenyl- (CAS 4560-43-4), with molecular formula C16H20N2 and molecular weight 240.16 g/mol. IUPAC: 1-N-butyl-4-N-phenylbenzene-1,4-diamine.
Chemical Property Profile of p-Phenylenediamine (8CI), N-butyl-N'-phenyl-
Property Insights of p-Phenylenediamine (8CI), N-butyl-N'-phenyl-
The XLogP value of 4.7 indicates that p-Phenylenediamine (8CI), N-butyl-N'-phenyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 24.1 Ų, p-Phenylenediamine (8CI), N-butyl-N'-phenyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, p-Phenylenediamine (8CI), N-butyl-N'-phenyl- has 2 hydrogen bond donor(s) and 2 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 p-Phenylenediamine (8CI), N-butyl-N'-phenyl-?
The CAS number of p-Phenylenediamine (8CI), N-butyl-N'-phenyl- is 4560-43-4.
What is the molecular formula of p-Phenylenediamine (8CI), N-butyl-N'-phenyl-?
The molecular formula of p-Phenylenediamine (8CI), N-butyl-N'-phenyl- is C16H20N2.
What is the molecular weight of p-Phenylenediamine (8CI), N-butyl-N'-phenyl-?
The molecular weight of p-Phenylenediamine (8CI), N-butyl-N'-phenyl- is 240.16 g/mol.
Where can I buy p-Phenylenediamine (8CI), N-butyl-N'-phenyl-?
You can request a quote for p-Phenylenediamine (8CI), N-butyl-N'-phenyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for p-Phenylenediamine (8CI), N-butyl-N'-phenyl-?
Yes, KEHONG BIO provides custom synthesis services for p-Phenylenediamine (8CI), N-butyl-N'-phenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.