Myclobutanil
TL;DR: Myclobutanil (CAS 88671-89-0) is a chemical compound with molecular formula C15H17ClN4 and molecular weight 288.11417 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(4-chlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)hexanenitrile
Also Known As: MYCLOBUTANIL, Systhane, Rally, Nova, Synthane 12E
Application Areas
Top 5 of 20 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C15H17ClN4 |
| Molecular Weight | 288.11417 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 54.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 288.11417 Da |
| Heavy Atoms | 20 |
| Complexity | 345.0 |
| Melting Point | 63 to 68 °C |
| Boiling Point | 202 to 208 °C at 1 mm Hg |
| Vapor Pressure | 0.0000016 [mmHg] |
| Solubility | Soluble in common organic solvents, e.g. ketones, esters, alcohols and aromatic hydrocarbons, all 50 to 100 g/L. Insoluble in aliphatic hydrocarbons. |
| SMILES | CCCCC(CN1C=NC=N1)(C#N)C2=CC=C(C=C2)Cl |
| InChIKey | HZJKXKUJVSEEFU-UHFFFAOYSA-N |
Product Description
Applications: Myclobutanil is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as agrochemical development, including crop protection agent synthesis. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Myclobutanil (CAS 88671-89-0) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
Myclobutanil (CAS 88671-89-0) is a heterocyclic building block with the molecular formula C15H17ClN4 and a molecular weight of 288.11 g/mol. Key physical properties include a solubility: Soluble in common organic solvents, e.g. ketones, esters, alcohols and aromatic hydrocarbons, all 50 to 100 g/L. Insoluble in aliphatic hydrocarbons. It is also known as MYCLOBUTANIL and Systhane.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of Myclobutanil
Property Insights of Myclobutanil
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Myclobutanil. With a topological polar surface area (TPSA) of 54.5 Ų, Myclobutanil exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Myclobutanil has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Myclobutanil?
The CAS number of Myclobutanil is 88671-89-0.
What is the molecular formula of Myclobutanil?
The molecular formula of Myclobutanil is C15H17ClN4.
What is the molecular weight of Myclobutanil?
The molecular weight of Myclobutanil is 288.11417 g/mol.
What are the applications of Myclobutanil?
Myclobutanil is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as agrochemical development, including crop protection agent synthesis. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Myclobutanil (CAS...
Where can I buy Myclobutanil?
You can request a quote for Myclobutanil directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Myclobutanil?
Yes, CoreyChem provides custom synthesis services for Myclobutanil and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.