1,3-Benzenediamine, 4,6-bis(1,1-dimethylethyl)-2-methyl-
TL;DR: 1,3-Benzenediamine, 4,6-bis(1,1-dimethylethyl)-2-methyl- (CAS 103596-73-2) is a chemical compound with molecular formula C15H26N2 and molecular weight 234.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,6-ditert-butyl-2-methylbenzene-1,3-diamine
Also Known As: 3,5-Di-tert-butyl-2,6-toluenediamine, 1,3-Benzenediamine, 4,6-bis(1,1-dimethylethyl)-2-methyl-, 4,6-di-tert-butyl-2-methylbenzene-1,3-diamine, J1.551.567H, 4,6-Bis(1,1-dimethylethyl)-2-methyl-1,3-benzenediamine
| Molecular Formula | C15H26N2 |
|---|---|
| Molecular Weight | 234.21 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 52.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 234.2096 |
| Heavy Atoms | 17 |
| Complexity | 233.0 |
Chemical Identifiers
| CAS Number | 103596-73-2 |
|---|---|
| SMILES | CC1=C(C(=CC(=C1N)C(C)(C)C)C(C)(C)C)N |
| InChIKey | IUWZLTGXALKGRP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-Benzenediamine, 4,6-bis(1,1-dimethylethyl)-2-methyl- (CAS 103596-73-2), with molecular formula C15H26N2 and molecular weight 234.21 g/mol. IUPAC: 4,6-ditert-butyl-2-methylbenzene-1,3-diamine.
Chemical Property Profile of 1,3-Benzenediamine, 4,6-bis(1,1-dimethylethyl)-2-methyl-
Property Insights of 1,3-Benzenediamine, 4,6-bis(1,1-dimethylethyl)-2-methyl-
The XLogP value of 4.3 indicates that 1,3-Benzenediamine, 4,6-bis(1,1-dimethylethyl)-2-methyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.0 Ų, 1,3-Benzenediamine, 4,6-bis(1,1-dimethylethyl)-2-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Benzenediamine, 4,6-bis(1,1-dimethylethyl)-2-methyl- 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-Benzenediamine, 4,6-bis(1,1-dimethylethyl)-2-methyl-?
The CAS number of 1,3-Benzenediamine, 4,6-bis(1,1-dimethylethyl)-2-methyl- is 103596-73-2.
What is the molecular formula of 1,3-Benzenediamine, 4,6-bis(1,1-dimethylethyl)-2-methyl-?
The molecular formula of 1,3-Benzenediamine, 4,6-bis(1,1-dimethylethyl)-2-methyl- is C15H26N2.
What is the molecular weight of 1,3-Benzenediamine, 4,6-bis(1,1-dimethylethyl)-2-methyl-?
The molecular weight of 1,3-Benzenediamine, 4,6-bis(1,1-dimethylethyl)-2-methyl- is 234.21 g/mol.
Where can I buy 1,3-Benzenediamine, 4,6-bis(1,1-dimethylethyl)-2-methyl-?
You can request a quote for 1,3-Benzenediamine, 4,6-bis(1,1-dimethylethyl)-2-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Benzenediamine, 4,6-bis(1,1-dimethylethyl)-2-methyl-?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Benzenediamine, 4,6-bis(1,1-dimethylethyl)-2-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.