1-Chlorobutane-2,3-dione dioxime
TL;DR: 1-Chlorobutane-2,3-dione dioxime (CAS 82504-13-0) is a chemical compound with molecular formula C21H25NO4 and molecular weight 355.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-methoxy-2,2,6-trimethyl-7-(3-methylbut-2-enoxy)pyrano[3,2-c]quinolin-5-one
Also Known As: 1-Chlorobutane-2,3-dione dioxime, 5H-Pyrano(3,2-c)quinolin-5-one, 2,6-dihydro-8-methoxy-2,2,6-trimethyl-7-((3-methyl-2-butenyl)oxy)-, 8-methoxy-2,2,6-trimethyl-7-(3-methylbut-2-enoxy)pyrano[3,2-c]quinolin-5-one, 8-Methoxy-2,2,6-trimethyl-7-[(3-methylbut-2-en-1-yl)oxy]-2,6-dihydro-5H-pyrano[3,2-c]quinolin-5-one
| Molecular Formula | C21H25NO4 |
|---|---|
| Molecular Weight | 355.18 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 48.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 355.17834 |
| Heavy Atoms | 26 |
| Complexity | 657.0 |
Chemical Identifiers
| CAS Number | 82504-13-0 |
|---|---|
| SMILES | CC(=CCOC1=C(C=CC2=C1N(C(=O)C3=C2OC(C=C3)(C)C)C)OC)C |
| InChIKey | LSHRUPOFWOLHMO-UHFFFAOYSA-N |
Product Overview
1-Chlorobutane-2,3-dione dioxime (CAS 82504-13-0), with molecular formula C21H25NO4 and molecular weight 355.18 g/mol. IUPAC: 8-methoxy-2,2,6-trimethyl-7-(3-methylbut-2-enoxy)pyrano[3,2-c]quinolin-5-one.
Chemical Property Profile of 1-Chlorobutane-2,3-dione dioxime
Property Insights of 1-Chlorobutane-2,3-dione dioxime
The XLogP value of 3.6 indicates that 1-Chlorobutane-2,3-dione dioxime is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 48.0 Ų, 1-Chlorobutane-2,3-dione dioxime exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Chlorobutane-2,3-dione dioxime has 0 hydrogen bond donor(s) and 4 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-Chlorobutane-2,3-dione dioxime?
The CAS number of 1-Chlorobutane-2,3-dione dioxime is 82504-13-0.
What is the molecular formula of 1-Chlorobutane-2,3-dione dioxime?
The molecular formula of 1-Chlorobutane-2,3-dione dioxime is C21H25NO4.
What is the molecular weight of 1-Chlorobutane-2,3-dione dioxime?
The molecular weight of 1-Chlorobutane-2,3-dione dioxime is 355.18 g/mol.
Where can I buy 1-Chlorobutane-2,3-dione dioxime?
You can request a quote for 1-Chlorobutane-2,3-dione dioxime directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Chlorobutane-2,3-dione dioxime?
Yes, KEHONG BIO provides custom synthesis services for 1-Chlorobutane-2,3-dione dioxime and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.