Bitertanol
TL;DR: Bitertanol (CAS 55179-31-2) is a chemical compound with molecular formula C20H23N3O2 and molecular weight 337.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,3-dimethyl-1-(4-phenylphenoxy)-1-(1,2,4-triazol-1-yl)butan-2-ol
Also Known As: Bitertanol, Baycor, Biloxazol, Sibutol, Baymat-spray
| Molecular Formula | C20H23N3O2 |
|---|---|
| Molecular Weight | 337.18 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 60.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 337.17902 |
| Heavy Atoms | 25 |
| Complexity | 398.0 |
| Vapor Pressure | 0.0000075 [mmHg] |
Chemical Identifiers
| CAS Number | 55179-31-2 |
|---|---|
| SMILES | CC(C)(C)C(C(N1C=NC=N1)OC2=CC=C(C=C2)C3=CC=CC=C3)O |
| InChIKey | VGPIBGGRCVEHQZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Bitertanol (CAS 55179-31-2), with molecular formula C20H23N3O2 and molecular weight 337.18 g/mol. IUPAC: 3,3-dimethyl-1-(4-phenylphenoxy)-1-(1,2,4-triazol-1-yl)butan-2-ol.
Chemical Property Profile of Bitertanol
Property Insights of Bitertanol
The XLogP value of 4.2 indicates that Bitertanol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Bitertanol. Following Lipinski's Rule of Five, Bitertanol has 1 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 Bitertanol?
The CAS number of Bitertanol is 55179-31-2.
What is the molecular formula of Bitertanol?
The molecular formula of Bitertanol is C20H23N3O2.
What is the molecular weight of Bitertanol?
The molecular weight of Bitertanol is 337.18 g/mol.
Where can I buy Bitertanol?
You can request a quote for Bitertanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bitertanol?
Yes, KEHONG BIO provides custom synthesis services for Bitertanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.