1,3-Dianilinopropane
TL;DR: 1,3-Dianilinopropane (CAS 104-69-8) is a chemical compound with molecular formula C15H18N2 and molecular weight 226.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N'-diphenylpropane-1,3-diamine
Also Known As: 1,3-dianilinopropane, 1,3-Bis(anilino)propane, N,N'-Diphenylpropane-1,3-diamine, 1,3-Propanediamine, N,N'-diphenyl-, 1,3-Bis-phenylaminopropan
| Molecular Formula | C15H18N2 |
|---|---|
| Molecular Weight | 226.15 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 24.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 226.147 |
| Heavy Atoms | 17 |
| Complexity | 161.0 |
Chemical Identifiers
| CAS Number | 104-69-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)NCCCNC2=CC=CC=C2 |
| InChIKey | JQMRSZJEVQNIPB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-Dianilinopropane (CAS 104-69-8), with molecular formula C15H18N2 and molecular weight 226.15 g/mol. IUPAC: N,N'-diphenylpropane-1,3-diamine.
Chemical Property Profile of 1,3-Dianilinopropane
Property Insights of 1,3-Dianilinopropane
The XLogP value of 3.9 indicates that 1,3-Dianilinopropane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 24.1 Ų, 1,3-Dianilinopropane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Dianilinopropane 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 1,3-Dianilinopropane?
The CAS number of 1,3-Dianilinopropane is 104-69-8.
What is the molecular formula of 1,3-Dianilinopropane?
The molecular formula of 1,3-Dianilinopropane is C15H18N2.
What is the molecular weight of 1,3-Dianilinopropane?
The molecular weight of 1,3-Dianilinopropane is 226.15 g/mol.
Where can I buy 1,3-Dianilinopropane?
You can request a quote for 1,3-Dianilinopropane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Dianilinopropane?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Dianilinopropane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.