5-Isopropyl-m-xylene
TL;DR: 5-Isopropyl-m-xylene (CAS 4706-90-5) is a chemical compound with molecular formula C11H16 and molecular weight 148.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dimethyl-5-propan-2-ylbenzene
Also Known As: 5-Isopropyl-m-xylene, 3,5-Dimethylcumene, 1-Isopropyl-3,5-dimethylbenzene, Cumene, 3,5-dimethyl-, 1,3-Dimethyl-5-isopropylbenzene
| Molecular Formula | C11H16 |
|---|---|
| Molecular Weight | 148.13 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 148.1252 |
| Heavy Atoms | 11 |
| Complexity | 105.0 |
Chemical Identifiers
| CAS Number | 4706-90-5 |
|---|---|
| SMILES | CC1=CC(=CC(=C1)C(C)C)C |
| InChIKey | RMKJTYPFCFNTGQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Isopropyl-m-xylene (CAS 4706-90-5), with molecular formula C11H16 and molecular weight 148.13 g/mol. IUPAC: 1,3-dimethyl-5-propan-2-ylbenzene.
Chemical Property Profile of 5-Isopropyl-m-xylene
Property Insights of 5-Isopropyl-m-xylene
The XLogP value of 3.8 indicates that 5-Isopropyl-m-xylene 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-Isopropyl-m-xylene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Isopropyl-m-xylene has 0 hydrogen bond donor(s) and 0 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 5-Isopropyl-m-xylene?
The CAS number of 5-Isopropyl-m-xylene is 4706-90-5.
What is the molecular formula of 5-Isopropyl-m-xylene?
The molecular formula of 5-Isopropyl-m-xylene is C11H16.
What is the molecular weight of 5-Isopropyl-m-xylene?
The molecular weight of 5-Isopropyl-m-xylene is 148.13 g/mol.
Where can I buy 5-Isopropyl-m-xylene?
You can request a quote for 5-Isopropyl-m-xylene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Isopropyl-m-xylene?
Yes, KEHONG BIO provides custom synthesis services for 5-Isopropyl-m-xylene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.