N,N'-Terephthalylidenebis(4-butylaniline)
TL;DR: N,N'-Terephthalylidenebis(4-butylaniline) (CAS 54173-15-8) is a chemical compound with molecular formula C28H32N2 and molecular weight 396.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-butylphenyl)-1-[4-[(4-butylphenyl)iminomethyl]phenyl]methanimine
Also Known As: Terephthalylidene bis(p-butylaniline), TBBA, TBBA[liquid crystal], Terephthal-bis-n-butylaniline, Terephthalbis(p-butylaniline)
| Molecular Formula | C28H32N2 |
|---|---|
| Molecular Weight | 396.26 g/mol |
| LogP | 8.3 |
| Topological Polar Surface Area | 24.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 10 |
| Exact Mass | 396.25656 |
| Heavy Atoms | 30 |
| Complexity | 441.0 |
Chemical Identifiers
| CAS Number | 54173-15-8 |
|---|---|
| SMILES | CCCCC1=CC=C(C=C1)N=CC2=CC=C(C=C2)C=NC3=CC=C(C=C3)CCCC |
| InChIKey | OWDOPPGNUYIHFQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N,N'-Terephthalylidenebis(4-butylaniline) (CAS 54173-15-8), with molecular formula C28H32N2 and molecular weight 396.26 g/mol. IUPAC: N-(4-butylphenyl)-1-[4-[(4-butylphenyl)iminomethyl]phenyl]methanimine.
Chemical Property Profile of N,N'-Terephthalylidenebis(4-butylaniline)
Property Insights of N,N'-Terephthalylidenebis(4-butylaniline)
The XLogP value of 8.3 indicates that N,N'-Terephthalylidenebis(4-butylaniline) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 24.7 Ų, N,N'-Terephthalylidenebis(4-butylaniline) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N,N'-Terephthalylidenebis(4-butylaniline) 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 N,N'-Terephthalylidenebis(4-butylaniline)?
The CAS number of N,N'-Terephthalylidenebis(4-butylaniline) is 54173-15-8.
What is the molecular formula of N,N'-Terephthalylidenebis(4-butylaniline)?
The molecular formula of N,N'-Terephthalylidenebis(4-butylaniline) is C28H32N2.
What is the molecular weight of N,N'-Terephthalylidenebis(4-butylaniline)?
The molecular weight of N,N'-Terephthalylidenebis(4-butylaniline) is 396.26 g/mol.
Where can I buy N,N'-Terephthalylidenebis(4-butylaniline)?
You can request a quote for N,N'-Terephthalylidenebis(4-butylaniline) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N,N'-Terephthalylidenebis(4-butylaniline)?
Yes, KEHONG BIO provides custom synthesis services for N,N'-Terephthalylidenebis(4-butylaniline) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.