Benzenamine, 3,4-bis(2-methylpropoxy)-
TL;DR: Benzenamine, 3,4-bis(2-methylpropoxy)- (CAS 39051-98-4) is a chemical compound with molecular formula C14H23NO2 and molecular weight 237.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4-bis(2-methylpropoxy)aniline
Also Known As: 3,4-bis(2-methylpropoxy)aniline, 3,4-Diisobutoxyaniline, Benzenamine, 3,4-bis(2-methylpropoxy)-, 3,4-Di(isobutyloxy)aniline, 3,4-Bis(2-methylpropoxy) Benzenamine
| Molecular Formula | C14H23NO2 |
|---|---|
| Molecular Weight | 237.17 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 44.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 237.17288 |
| Heavy Atoms | 17 |
| Complexity | 206.0 |
Chemical Identifiers
| CAS Number | 39051-98-4 |
|---|---|
| SMILES | CC(C)COC1=C(C=C(C=C1)N)OCC(C)C |
| InChIKey | XGHPKERTFVCGGC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzenamine, 3,4-bis(2-methylpropoxy)- (CAS 39051-98-4), with molecular formula C14H23NO2 and molecular weight 237.17 g/mol. IUPAC: 3,4-bis(2-methylpropoxy)aniline.
Chemical Property Profile of Benzenamine, 3,4-bis(2-methylpropoxy)-
Property Insights of Benzenamine, 3,4-bis(2-methylpropoxy)-
The XLogP value of 4.1 indicates that Benzenamine, 3,4-bis(2-methylpropoxy)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.5 Ų, Benzenamine, 3,4-bis(2-methylpropoxy)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzenamine, 3,4-bis(2-methylpropoxy)- has 1 hydrogen bond donor(s) and 3 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 Benzenamine, 3,4-bis(2-methylpropoxy)-?
The CAS number of Benzenamine, 3,4-bis(2-methylpropoxy)- is 39051-98-4.
What is the molecular formula of Benzenamine, 3,4-bis(2-methylpropoxy)-?
The molecular formula of Benzenamine, 3,4-bis(2-methylpropoxy)- is C14H23NO2.
What is the molecular weight of Benzenamine, 3,4-bis(2-methylpropoxy)-?
The molecular weight of Benzenamine, 3,4-bis(2-methylpropoxy)- is 237.17 g/mol.
Where can I buy Benzenamine, 3,4-bis(2-methylpropoxy)-?
You can request a quote for Benzenamine, 3,4-bis(2-methylpropoxy)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenamine, 3,4-bis(2-methylpropoxy)-?
Yes, KEHONG BIO provides custom synthesis services for Benzenamine, 3,4-bis(2-methylpropoxy)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.