1,1-Dichloro-6-(3-methylfuran-2-yl)hexan-2-one
TL;DR: 1,1-Dichloro-6-(3-methylfuran-2-yl)hexan-2-one (CAS 131168-80-4) is a chemical compound with molecular formula C11H14Cl2O2 and molecular weight 248.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1-dichloro-6-(3-methylfuran-2-yl)hexan-2-one
Also Known As: 1,1-Dichloro-6-(3-methylfur-2-yl)hexan-2-on, 1,1-dichloro-6-(3-methyl-2-furyl)hexan-2-one, 1,1-dichloro-6-(3-methylfuran-2-yl)hexan-2-one, InChI=1/C11H14Cl2O2/c1-8-6-7-15-10(8)5-3-2-4-9(14)11(12)13/h6-7,11H,2-5H2,1H
| Molecular Formula | C11H14Cl2O2 |
|---|---|
| Molecular Weight | 248.04 g/mol |
| LogP | 3.67362 |
| Topological Polar Surface Area | 30.21 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 248.03708 |
| Heavy Atoms | 15 |
| Complexity | 318.14276 |
Chemical Identifiers
| CAS Number | 131168-80-4 |
|---|---|
| SMILES | CC1=C(OC=C1)CCCCC(=O)C(Cl)Cl |
Product Overview
1,1-Dichloro-6-(3-methylfuran-2-yl)hexan-2-one (CAS 131168-80-4), with molecular formula C11H14Cl2O2 and molecular weight 248.04 g/mol. IUPAC: 1,1-dichloro-6-(3-methylfuran-2-yl)hexan-2-one.
Chemical Property Profile of 1,1-Dichloro-6-(3-methylfuran-2-yl)hexan-2-one
Property Insights of 1,1-Dichloro-6-(3-methylfuran-2-yl)hexan-2-one
The XLogP value of 3.67362 indicates that 1,1-Dichloro-6-(3-methylfuran-2-yl)hexan-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 30.21 Ų, 1,1-Dichloro-6-(3-methylfuran-2-yl)hexan-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1-Dichloro-6-(3-methylfuran-2-yl)hexan-2-one has 0 hydrogen bond donor(s) and 2 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 1,1-Dichloro-6-(3-methylfuran-2-yl)hexan-2-one?
The CAS number of 1,1-Dichloro-6-(3-methylfuran-2-yl)hexan-2-one is 131168-80-4.
What is the molecular formula of 1,1-Dichloro-6-(3-methylfuran-2-yl)hexan-2-one?
The molecular formula of 1,1-Dichloro-6-(3-methylfuran-2-yl)hexan-2-one is C11H14Cl2O2.
What is the molecular weight of 1,1-Dichloro-6-(3-methylfuran-2-yl)hexan-2-one?
The molecular weight of 1,1-Dichloro-6-(3-methylfuran-2-yl)hexan-2-one is 248.04 g/mol.
Where can I buy 1,1-Dichloro-6-(3-methylfuran-2-yl)hexan-2-one?
You can request a quote for 1,1-Dichloro-6-(3-methylfuran-2-yl)hexan-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1-Dichloro-6-(3-methylfuran-2-yl)hexan-2-one?
Yes, KEHONG BIO provides custom synthesis services for 1,1-Dichloro-6-(3-methylfuran-2-yl)hexan-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.