3,5-Di-tert-butyl chlorobenzene
TL;DR: 3,5-Di-tert-butyl chlorobenzene (CAS 80438-67-1) 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.
1,3-ditert-butyl-5-chlorobenzene
Also Known As: 3,5-Di-tert-butyl chlorobenzene, 1,3-Di-tert-butyl-5-chlorobenzene, 1,3-ditert-butyl-5-chlorobenzene, Benzene, 1-chloro-3,5-bis(1,1-dimethylethyl)-, RefChem:271524
| 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 | 184.0 |
Chemical Identifiers
| CAS Number | 80438-67-1 |
|---|---|
| SMILES | CC(C)(C)C1=CC(=CC(=C1)Cl)C(C)(C)C |
| InChIKey | UMPNQCBQSXTKID-UHFFFAOYSA-N |
Product Overview
3,5-Di-tert-butyl chlorobenzene (CAS 80438-67-1), with molecular formula C14H21Cl and molecular weight 224.13 g/mol. IUPAC: 1,3-ditert-butyl-5-chlorobenzene.
Chemical Property Profile of 3,5-Di-tert-butyl chlorobenzene
Property Insights of 3,5-Di-tert-butyl chlorobenzene
The XLogP value of 5.9 indicates that 3,5-Di-tert-butyl chlorobenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 3,5-Di-tert-butyl chlorobenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,5-Di-tert-butyl chlorobenzene 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 3,5-Di-tert-butyl chlorobenzene?
The CAS number of 3,5-Di-tert-butyl chlorobenzene is 80438-67-1.
What is the molecular formula of 3,5-Di-tert-butyl chlorobenzene?
The molecular formula of 3,5-Di-tert-butyl chlorobenzene is C14H21Cl.
What is the molecular weight of 3,5-Di-tert-butyl chlorobenzene?
The molecular weight of 3,5-Di-tert-butyl chlorobenzene is 224.13 g/mol.
Where can I buy 3,5-Di-tert-butyl chlorobenzene?
You can request a quote for 3,5-Di-tert-butyl chlorobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-Di-tert-butyl chlorobenzene?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Di-tert-butyl chlorobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.