1-Chloro-3,5-diisopropylbenzene
TL;DR: 1-Chloro-3,5-diisopropylbenzene (CAS 87945-06-0) is a chemical compound with molecular formula C12H17Cl and molecular weight 196.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-chloro-3,5-di(propan-2-yl)benzene
Also Known As: 1-Chloro-3,5-diisopropylbenzene, 1-chloro-3,5-di(propan-2-yl)benzene, 3,5-Diisopropyl-1-chlorobenzene, 1-Chloro-3,5-diisopropyl-benzene, 5-chloro-1,3-diisopropylbenzene
| Molecular Formula | C12H17Cl |
|---|---|
| Molecular Weight | 196.10 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 2 |
| Exact Mass | 196.10188 |
| Heavy Atoms | 13 |
| Complexity | 135.0 |
Chemical Identifiers
| CAS Number | 87945-06-0 |
|---|---|
| SMILES | CC(C)C1=CC(=CC(=C1)Cl)C(C)C |
| InChIKey | IJPBANLIWUXUPV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Chloro-3,5-diisopropylbenzene (CAS 87945-06-0), with molecular formula C12H17Cl and molecular weight 196.10 g/mol. IUPAC: 1-chloro-3,5-di(propan-2-yl)benzene.
Chemical Property Profile of 1-Chloro-3,5-diisopropylbenzene
Property Insights of 1-Chloro-3,5-diisopropylbenzene
The XLogP value of 4.8 indicates that 1-Chloro-3,5-diisopropylbenzene 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-Chloro-3,5-diisopropylbenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Chloro-3,5-diisopropylbenzene 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 1-Chloro-3,5-diisopropylbenzene?
The CAS number of 1-Chloro-3,5-diisopropylbenzene is 87945-06-0.
What is the molecular formula of 1-Chloro-3,5-diisopropylbenzene?
The molecular formula of 1-Chloro-3,5-diisopropylbenzene is C12H17Cl.
What is the molecular weight of 1-Chloro-3,5-diisopropylbenzene?
The molecular weight of 1-Chloro-3,5-diisopropylbenzene is 196.10 g/mol.
Where can I buy 1-Chloro-3,5-diisopropylbenzene?
You can request a quote for 1-Chloro-3,5-diisopropylbenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Chloro-3,5-diisopropylbenzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Chloro-3,5-diisopropylbenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.