1,3-Di-tert-butylbenzene
TL;DR: 1,3-Di-tert-butylbenzene (CAS 1014-60-4) is a chemical compound with molecular formula C14H22 and molecular weight 190.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-ditert-butylbenzene
Also Known As: 1,3-Di-tert-butylbenzene, 1,3-ditert-butylbenzene, Benzene, 1,3-bis(1,1-dimethylethyl)-, m-Di-tert-butylbenzene, Benzene, m-di-tert-butyl-
| Molecular Formula | C14H22 |
|---|---|
| Molecular Weight | 190.17 g/mol |
| LogP | 5.8 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 2 |
| Exact Mass | 190.17215 |
| Heavy Atoms | 14 |
| Complexity | 157.0 |
Chemical Identifiers
| CAS Number | 1014-60-4 |
|---|---|
| SMILES | CC(C)(C)C1=CC(=CC=C1)C(C)(C)C |
| InChIKey | ILNDSSCEZZFNGE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-Di-tert-butylbenzene (CAS 1014-60-4), with molecular formula C14H22 and molecular weight 190.17 g/mol. IUPAC: 1,3-ditert-butylbenzene.
Chemical Property Profile of 1,3-Di-tert-butylbenzene
Property Insights of 1,3-Di-tert-butylbenzene
The XLogP value of 5.8 indicates that 1,3-Di-tert-butylbenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 1,3-Di-tert-butylbenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Di-tert-butylbenzene has 0 hydrogen bond donor(s) and 0 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,3-Di-tert-butylbenzene?
The CAS number of 1,3-Di-tert-butylbenzene is 1014-60-4.
What is the molecular formula of 1,3-Di-tert-butylbenzene?
The molecular formula of 1,3-Di-tert-butylbenzene is C14H22.
What is the molecular weight of 1,3-Di-tert-butylbenzene?
The molecular weight of 1,3-Di-tert-butylbenzene is 190.17 g/mol.
Where can I buy 1,3-Di-tert-butylbenzene?
You can request a quote for 1,3-Di-tert-butylbenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Di-tert-butylbenzene?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Di-tert-butylbenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.