2,4-Di-t-butylchlorobenzene
TL;DR: 2,4-Di-t-butylchlorobenzene (CAS 80438-65-9) is a chemical compound with molecular formula C14H21Cl and molecular weight 224.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4-ditert-butyl-1-chlorobenzene
Also Known As: 2,4-Di-t-butylchlorobenzene, 2,4-ditert-butyl-1-chlorobenzene, 2,4-Di-t-butyl chlorobenzene, 4-Chlor-1.3-di-tert.-butyl-benzol, 2,4-DI-TERT-BUTYL-1-CHLOROBENZENE
| Molecular Formula | C14H21Cl |
|---|---|
| Molecular Weight | 224.13 g/mol |
| LogP | 5.9 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 2 |
| Exact Mass | 224.13318 |
| Heavy Atoms | 15 |
| Complexity | 206.0 |
Chemical Identifiers
| CAS Number | 80438-65-9 |
|---|---|
| SMILES | CC(C)(C)C1=CC(=C(C=C1)Cl)C(C)(C)C |
| InChIKey | ADQRIEIXADCLKG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,4-Di-t-butylchlorobenzene (CAS 80438-65-9), with molecular formula C14H21Cl and molecular weight 224.13 g/mol. IUPAC: 2,4-ditert-butyl-1-chlorobenzene.
Chemical Property Profile of 2,4-Di-t-butylchlorobenzene
Property Insights of 2,4-Di-t-butylchlorobenzene
The XLogP value of 5.9 indicates that 2,4-Di-t-butylchlorobenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 2,4-Di-t-butylchlorobenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4-Di-t-butylchlorobenzene 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 2,4-Di-t-butylchlorobenzene?
The CAS number of 2,4-Di-t-butylchlorobenzene is 80438-65-9.
What is the molecular formula of 2,4-Di-t-butylchlorobenzene?
The molecular formula of 2,4-Di-t-butylchlorobenzene is C14H21Cl.
What is the molecular weight of 2,4-Di-t-butylchlorobenzene?
The molecular weight of 2,4-Di-t-butylchlorobenzene is 224.13 g/mol.
Where can I buy 2,4-Di-t-butylchlorobenzene?
You can request a quote for 2,4-Di-t-butylchlorobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4-Di-t-butylchlorobenzene?
Yes, KEHONG BIO provides custom synthesis services for 2,4-Di-t-butylchlorobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.