1-Chloro-2,5-diisopropylbenzene
TL;DR: 1-Chloro-2,5-diisopropylbenzene (CAS 49841-53-4) 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.
2-chloro-1,4-di(propan-2-yl)benzene
Also Known As: 1-Chloro-2,5-diisopropylbenzene, 2-chloro-1,4-di(propan-2-yl)benzene, 2-Chloro-1,4-diisopropylbenzene, C(C)(C)c1ccc(C(C)C)c(Cl)c1, Benzene, 2-chloro-1,3-bis(1-methylethyl)-
| 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 | 151.0 |
Chemical Identifiers
| CAS Number | 49841-53-4 |
|---|---|
| SMILES | CC(C)C1=CC(=C(C=C1)C(C)C)Cl |
| InChIKey | DAQRAOORRPJOKE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Chloro-2,5-diisopropylbenzene (CAS 49841-53-4), with molecular formula C12H17Cl and molecular weight 196.10 g/mol. IUPAC: 2-chloro-1,4-di(propan-2-yl)benzene.
Chemical Property Profile of 1-Chloro-2,5-diisopropylbenzene
Property Insights of 1-Chloro-2,5-diisopropylbenzene
The XLogP value of 4.8 indicates that 1-Chloro-2,5-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-2,5-diisopropylbenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Chloro-2,5-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-2,5-diisopropylbenzene?
The CAS number of 1-Chloro-2,5-diisopropylbenzene is 49841-53-4.
What is the molecular formula of 1-Chloro-2,5-diisopropylbenzene?
The molecular formula of 1-Chloro-2,5-diisopropylbenzene is C12H17Cl.
What is the molecular weight of 1-Chloro-2,5-diisopropylbenzene?
The molecular weight of 1-Chloro-2,5-diisopropylbenzene is 196.10 g/mol.
Where can I buy 1-Chloro-2,5-diisopropylbenzene?
You can request a quote for 1-Chloro-2,5-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-2,5-diisopropylbenzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Chloro-2,5-diisopropylbenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.