Myclobutanil
TL;DR: Myclobutanil (CAS 88671-89-0) is a chemical compound with molecular formula C15H17ClN4 and molecular weight 288.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-chlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)hexanenitrile
Also Known As: MYCLOBUTANIL, Systhane, Rally, Nova, Synthane 12E
| Molecular Formula | C15H17ClN4 |
|---|---|
| Molecular Weight | 288.11 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 54.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 288.11417 |
| Heavy Atoms | 20 |
| Complexity | 345.0 |
| Melting Point | 63 to 68 °C |
| Boiling Point | 202 to 208 °C at 1 mm Hg |
| Solubility | Soluble in common organic solvents, e.g. ketones, esters, alcohols and aromatic hydrocarbons, all 50 to 100 g/L. Insoluble in aliphatic hydrocarbons. |
| Vapor Pressure | 0.0000016 [mmHg] |
Chemical Identifiers
| CAS Number | 88671-89-0 |
|---|---|
| SMILES | CCCCC(CN1C=NC=N1)(C#N)C2=CC=C(C=C2)Cl |
| InChIKey | HZJKXKUJVSEEFU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Myclobutanil (CAS 88671-89-0), with molecular formula C15H17ClN4 and molecular weight 288.11 g/mol. IUPAC: 2-(4-chlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)hexanenitrile.
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
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 288.11 g/mol.
Where can I buy Myclobutanil?
You can request a quote for Myclobutanil directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Myclobutanil?
Yes, KEHONG BIO provides custom synthesis services for Myclobutanil and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.