5-(Tert-butyl)-m-cymene
TL;DR: 5-(Tert-butyl)-m-cymene (CAS 29577-19-3) 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-tert-butyl-3,5-diethylbenzene
Also Known As: 1-tert-butyl-3,5-diethylbenzene, 5-(TERT-BUTYL)-M-CYMENE, 1,3-diethyl-5-t-butylbenzene, 1-tert-butyl-3-isopropyl-5-methyl-benzene, RefChem:101843
| Molecular Formula | C14H22 |
|---|---|
| Molecular Weight | 190.17 g/mol |
| LogP | 5.2 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 3 |
| Exact Mass | 190.17215 |
| Heavy Atoms | 14 |
| Complexity | 151.0 |
Chemical Identifiers
| CAS Number | 29577-19-3 |
|---|---|
| SMILES | CCC1=CC(=CC(=C1)C(C)(C)C)CC |
| InChIKey | ISMIPBZQDCUHAO-UHFFFAOYSA-N |
Product Overview
5-(Tert-butyl)-m-cymene (CAS 29577-19-3), with molecular formula C14H22 and molecular weight 190.17 g/mol. IUPAC: 1-tert-butyl-3,5-diethylbenzene.
Chemical Property Profile of 5-(Tert-butyl)-m-cymene
Property Insights of 5-(Tert-butyl)-m-cymene
The XLogP value of 5.2 indicates that 5-(Tert-butyl)-m-cymene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 5-(Tert-butyl)-m-cymene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(Tert-butyl)-m-cymene 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 5-(Tert-butyl)-m-cymene?
The CAS number of 5-(Tert-butyl)-m-cymene is 29577-19-3.
What is the molecular formula of 5-(Tert-butyl)-m-cymene?
The molecular formula of 5-(Tert-butyl)-m-cymene is C14H22.
What is the molecular weight of 5-(Tert-butyl)-m-cymene?
The molecular weight of 5-(Tert-butyl)-m-cymene is 190.17 g/mol.
Where can I buy 5-(Tert-butyl)-m-cymene?
You can request a quote for 5-(Tert-butyl)-m-cymene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(Tert-butyl)-m-cymene?
Yes, KEHONG BIO provides custom synthesis services for 5-(Tert-butyl)-m-cymene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.