灭菌唑
TL;DR: 灭菌唑 (CAS 131986-35-1) is a chemical compound with molecular formula C17H20ClN3O and molecular weight 317.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
灭菌唑
(5E)-5-[(4-chlorophenyl)methylidene]-2,2-dimethyl-1-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol
Also Known As: Triticonazole, Alios, Charter, Premise, Premis
| Molecular Formula | C17H20ClN3O |
|---|---|
| Molecular Weight | 317.13 g/mol |
| LogP | 3.5662 |
| Topological Polar Surface Area | 50.94 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 317.1295 |
| Heavy Atoms | 22 |
| Complexity | 676.43945 |
Chemical Identifiers
| CAS Number | 131986-35-1 |
|---|---|
| SMILES | CC1(CC/C(=C\C2=CC=C(C=C2)Cl)/C1(CN3C=NC=N3)O)C |
Product Overview
灭菌唑 (CAS 131986-35-1), with molecular formula C17H20ClN3O and molecular weight 317.13 g/mol. IUPAC: (5E)-5-[(4-chlorophenyl)methylidene]-2,2-dimethyl-1-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol.
Chemical Property Profile of 灭菌唑
Property Insights of 灭菌唑
The XLogP value of 3.5662 indicates that 灭菌唑 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.94 Ų, 灭菌唑 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 灭菌唑 has 1 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 灭菌唑?
The CAS number of 灭菌唑 is 131986-35-1.
What is the molecular formula of 灭菌唑?
The molecular formula of 灭菌唑 is C17H20ClN3O.
What is the molecular weight of 灭菌唑?
The molecular weight of 灭菌唑 is 317.13 g/mol.
Where can I buy 灭菌唑?
You can request a quote for 灭菌唑 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 灭菌唑?
Yes, KEHONG BIO provides custom synthesis services for 灭菌唑 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.