1,4-Benzenediamine, N1-(1-methylpropyl)-N4-phenyl-
TL;DR: 1,4-Benzenediamine, N1-(1-methylpropyl)-N4-phenyl- (CAS 788-17-0) 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.
4-N-butan-2-yl-1-N-phenylbenzene-1,4-diamine
Also Known As: 1,4-Benzenediamine, N-(1-methylpropyl)-N'-phenyl-, N-Phenyl-N'-sec-butyl-p-phenylendiamin, 1,4-Benzenediamine, N1-(1-methylpropyl)-N4-phenyl-, N-(1-Methylpropyl)-N'-phenylbenzene-1,4-diamine, n-(butan-2-yl)-n'-phenylbenzene-1,4-diamine
| Molecular Formula | C16H20N2 |
|---|---|
| Molecular Weight | 240.16 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 24.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 240.16264 |
| Heavy Atoms | 18 |
| Complexity | 215.0 |
Chemical Identifiers
| CAS Number | 788-17-0 |
|---|---|
| SMILES | CCC(C)NC1=CC=C(C=C1)NC2=CC=CC=C2 |
| InChIKey | LIAVGCGPNJLGQT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,4-Benzenediamine, N1-(1-methylpropyl)-N4-phenyl- (CAS 788-17-0), with molecular formula C16H20N2 and molecular weight 240.16 g/mol. IUPAC: 4-N-butan-2-yl-1-N-phenylbenzene-1,4-diamine.
Chemical Property Profile of 1,4-Benzenediamine, N1-(1-methylpropyl)-N4-phenyl-
Property Insights of 1,4-Benzenediamine, N1-(1-methylpropyl)-N4-phenyl-
The XLogP value of 4.8 indicates that 1,4-Benzenediamine, N1-(1-methylpropyl)-N4-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, 1,4-Benzenediamine, N1-(1-methylpropyl)-N4-phenyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4-Benzenediamine, N1-(1-methylpropyl)-N4-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 1,4-Benzenediamine, N1-(1-methylpropyl)-N4-phenyl-?
The CAS number of 1,4-Benzenediamine, N1-(1-methylpropyl)-N4-phenyl- is 788-17-0.
What is the molecular formula of 1,4-Benzenediamine, N1-(1-methylpropyl)-N4-phenyl-?
The molecular formula of 1,4-Benzenediamine, N1-(1-methylpropyl)-N4-phenyl- is C16H20N2.
What is the molecular weight of 1,4-Benzenediamine, N1-(1-methylpropyl)-N4-phenyl-?
The molecular weight of 1,4-Benzenediamine, N1-(1-methylpropyl)-N4-phenyl- is 240.16 g/mol.
Where can I buy 1,4-Benzenediamine, N1-(1-methylpropyl)-N4-phenyl-?
You can request a quote for 1,4-Benzenediamine, N1-(1-methylpropyl)-N4-phenyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Benzenediamine, N1-(1-methylpropyl)-N4-phenyl-?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Benzenediamine, N1-(1-methylpropyl)-N4-phenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.