6-t-Butyl-1,3,8-trichlorodibenzofuran
TL;DR: 6-t-Butyl-1,3,8-trichlorodibenzofuran (CAS 125652-14-4) is a chemical compound with molecular formula C16H13Cl3O and molecular weight 326.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-tert-butyl-1,3,8-trichlorodibenzofuran
Also Known As: 6-t-Butyl-1,3,8-tricdf, 6-t-Butyl-1,3,8-trichlorodibenzofuran, 6-tert-butyl-1,3,8-trichlorodibenzofuran, 1,3,8-Trichloro-6-tert-butyldibenzofuran, Dibenzofuran, 1,3,8-trichloro-6-propyl-
| Molecular Formula | C16H13Cl3O |
|---|---|
| Molecular Weight | 326.00 g/mol |
| LogP | 7.4 |
| Topological Polar Surface Area | 13.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 326.0032 |
| Heavy Atoms | 20 |
| Complexity | 367.0 |
Chemical Identifiers
| CAS Number | 125652-14-4 |
|---|---|
| SMILES | CC(C)(C)C1=CC(=CC2=C1OC3=C2C(=CC(=C3)Cl)Cl)Cl |
| InChIKey | NEMXOMXYPDWFFE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
6-t-Butyl-1,3,8-trichlorodibenzofuran (CAS 125652-14-4), with molecular formula C16H13Cl3O and molecular weight 326.00 g/mol. IUPAC: 6-tert-butyl-1,3,8-trichlorodibenzofuran.
Chemical Property Profile of 6-t-Butyl-1,3,8-trichlorodibenzofuran
Property Insights of 6-t-Butyl-1,3,8-trichlorodibenzofuran
The XLogP value of 7.4 indicates that 6-t-Butyl-1,3,8-trichlorodibenzofuran is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 13.1 Ų, 6-t-Butyl-1,3,8-trichlorodibenzofuran exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-t-Butyl-1,3,8-trichlorodibenzofuran has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 6-t-Butyl-1,3,8-trichlorodibenzofuran?
The CAS number of 6-t-Butyl-1,3,8-trichlorodibenzofuran is 125652-14-4.
What is the molecular formula of 6-t-Butyl-1,3,8-trichlorodibenzofuran?
The molecular formula of 6-t-Butyl-1,3,8-trichlorodibenzofuran is C16H13Cl3O.
What is the molecular weight of 6-t-Butyl-1,3,8-trichlorodibenzofuran?
The molecular weight of 6-t-Butyl-1,3,8-trichlorodibenzofuran is 326.00 g/mol.
Where can I buy 6-t-Butyl-1,3,8-trichlorodibenzofuran?
You can request a quote for 6-t-Butyl-1,3,8-trichlorodibenzofuran directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-t-Butyl-1,3,8-trichlorodibenzofuran?
Yes, KEHONG BIO provides custom synthesis services for 6-t-Butyl-1,3,8-trichlorodibenzofuran and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.