Neopybuthrin
TL;DR: Neopybuthrin (CAS 5453-18-9) is a chemical compound with molecular formula C60H82O11 and molecular weight 978.59 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[2-(2-butoxyethoxy)ethoxymethyl]-6-propyl-1,3-benzodioxole;cis-methyl (1R,3R)-1-(5-benzylfuran-3-yl)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate;(2-methyl-4-oxo-3-prop-2-enylcyclopent-2-en-1-yl) 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate
Also Known As: Neopybuthrin, KST-1A5839, KST-1A5840, (3-allyl-2-methyl-4-oxo-1-cyclopent-2-enyl) 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate; 5-[2-(2-butoxyethoxy)ethoxymethyl]-6-propyl-1,3-benzodioxole; methyl(1r,3r)-1-(5-benzyl-3-furyl)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate, 5-[2-(2-butoxyethoxy)ethoxymethyl]-6-propyl-1,3-benzodioxole;methyl (1R,3R)-1-(5-benzylfuran-3-yl)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate;(2-methyl-4-oxo-3-prop-2-enylcyclopent-2-en-1-yl) 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate
| Molecular Formula | C60H82O11 |
|---|---|
| Molecular Weight | 978.59 g/mol |
| LogP | 12.6231 |
| Topological Polar Surface Area | 129.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 25 |
| Exact Mass | 978.5857 |
| Heavy Atoms | 71 |
| Complexity | 1410.0 |
Chemical Identifiers
| CAS Number | 5453-18-9 |
|---|---|
| SMILES | CCCCOCCOCCOCC1=CC2=C(C=C1CCC)OCO2.CC1=C(C(=O)CC1OC(=O)C2C(C2(C)C)C=C(C)C)CC=C.CC(=C[C@H]1[C@@](C1(C)C)(C2=COC(=C2)CC3=CC=CC=C3)C(=O)OC)C |
| InChIKey | BFFYEBSMBAFJDF-GOOHIXEASA-N |
Product Overview
Neopybuthrin (CAS 5453-18-9), with molecular formula C60H82O11 and molecular weight 978.59 g/mol. IUPAC: 5-[2-(2-butoxyethoxy)ethoxymethyl]-6-propyl-1,3-benzodioxole;cis-methyl (1R,3R)-1-(5-benzylfuran-3-yl)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate;(2-methyl-4-oxo-3-prop-2-enylcyclopent-2-en-1-yl) 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate.
Chemical Property Profile of Neopybuthrin
Property Insights of Neopybuthrin
The XLogP value of 12.6231 indicates that Neopybuthrin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 129.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Neopybuthrin. Following Lipinski's Rule of Five, Neopybuthrin has 0 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Neopybuthrin?
The CAS number of Neopybuthrin is 5453-18-9.
What is the molecular formula of Neopybuthrin?
The molecular formula of Neopybuthrin is C60H82O11.
What is the molecular weight of Neopybuthrin?
The molecular weight of Neopybuthrin is 978.59 g/mol.
Where can I buy Neopybuthrin?
You can request a quote for Neopybuthrin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Neopybuthrin?
Yes, KEHONG BIO provides custom synthesis services for Neopybuthrin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.