1,3,8-Trichloro-6-isopropyl-dibenzofuran
TL;DR: 1,3,8-Trichloro-6-isopropyl-dibenzofuran (CAS 12627-71-3) is a chemical compound with molecular formula C15H11Cl3O and molecular weight 311.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3,8-trichloro-6-propan-2-yldibenzofuran
Also Known As: 1,3,8-Trichloro-6-isopropyl-dibenzofuran, KST-1B0111, 1,3,8-Trichloro-6-isopropyldibenzofuran, 1,3,8-trichloro-6-propan-2-yldibenzofuran, 3,5,12-trichloro-10-(propan-2-yl)-8-oxatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
| Molecular Formula | C15H11Cl3O |
|---|---|
| Molecular Weight | 311.99 g/mol |
| LogP | 6.9 |
| Topological Polar Surface Area | 13.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 311.98755 |
| Heavy Atoms | 19 |
| Complexity | 335.0 |
Chemical Identifiers
| CAS Number | 12627-71-3 |
|---|---|
| SMILES | CC(C)C1=CC(=CC2=C1OC3=C2C(=CC(=C3)Cl)Cl)Cl |
| InChIKey | FTBOBBMGWSWPNY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3,8-Trichloro-6-isopropyl-dibenzofuran (CAS 12627-71-3), with molecular formula C15H11Cl3O and molecular weight 311.99 g/mol. IUPAC: 1,3,8-trichloro-6-propan-2-yldibenzofuran.
Chemical Property Profile of 1,3,8-Trichloro-6-isopropyl-dibenzofuran
Property Insights of 1,3,8-Trichloro-6-isopropyl-dibenzofuran
The XLogP value of 6.9 indicates that 1,3,8-Trichloro-6-isopropyl-dibenzofuran is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 13.1 Ų, 1,3,8-Trichloro-6-isopropyl-dibenzofuran exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3,8-Trichloro-6-isopropyl-dibenzofuran 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 1,3,8-Trichloro-6-isopropyl-dibenzofuran?
The CAS number of 1,3,8-Trichloro-6-isopropyl-dibenzofuran is 12627-71-3.
What is the molecular formula of 1,3,8-Trichloro-6-isopropyl-dibenzofuran?
The molecular formula of 1,3,8-Trichloro-6-isopropyl-dibenzofuran is C15H11Cl3O.
What is the molecular weight of 1,3,8-Trichloro-6-isopropyl-dibenzofuran?
The molecular weight of 1,3,8-Trichloro-6-isopropyl-dibenzofuran is 311.99 g/mol.
Where can I buy 1,3,8-Trichloro-6-isopropyl-dibenzofuran?
You can request a quote for 1,3,8-Trichloro-6-isopropyl-dibenzofuran directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3,8-Trichloro-6-isopropyl-dibenzofuran?
Yes, KEHONG BIO provides custom synthesis services for 1,3,8-Trichloro-6-isopropyl-dibenzofuran and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.