Bitertanol, (R,S)-(+-)-
TL;DR: Bitertanol, (R,S)-(+-)- (CAS 98169-49-4) 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.
(1S,2R)-3,3-dimethyl-1-(4-phenylphenoxy)-1-(1,2,4-triazol-1-yl)butan-2-ol
Also Known As: Bitertanol, Bitertanol, (R,S)-(+/-)-, (1S,2R)-bitertanol, (R,S)-(+/-)-bitertanol, Bitertanol, (R,S)-(+-)-
| 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 |
Chemical Identifiers
| CAS Number | 98169-49-4 |
|---|---|
| SMILES | CC(C)(C)[C@H]([C@@H](N1C=NC=N1)OC2=CC=C(C=C2)C3=CC=CC=C3)O |
| InChIKey | VGPIBGGRCVEHQZ-OALUTQOASA-N |
Product Overview
Bitertanol, (R,S)-(+-)- (CAS 98169-49-4), with molecular formula C20H23N3O2 and molecular weight 337.18 g/mol. IUPAC: (1S,2R)-3,3-dimethyl-1-(4-phenylphenoxy)-1-(1,2,4-triazol-1-yl)butan-2-ol.
Chemical Property Profile of Bitertanol, (R,S)-(+-)-
Property Insights of Bitertanol, (R,S)-(+-)-
The XLogP value of 4.2 indicates that Bitertanol, (R,S)-(+-)- 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, (R,S)-(+-)-. Following Lipinski's Rule of Five, Bitertanol, (R,S)-(+-)- 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, (R,S)-(+-)-?
The CAS number of Bitertanol, (R,S)-(+-)- is 98169-49-4.
What is the molecular formula of Bitertanol, (R,S)-(+-)-?
The molecular formula of Bitertanol, (R,S)-(+-)- is C20H23N3O2.
What is the molecular weight of Bitertanol, (R,S)-(+-)-?
The molecular weight of Bitertanol, (R,S)-(+-)- is 337.18 g/mol.
Where can I buy Bitertanol, (R,S)-(+-)-?
You can request a quote for Bitertanol, (R,S)-(+-)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bitertanol, (R,S)-(+-)-?
Yes, KEHONG BIO provides custom synthesis services for Bitertanol, (R,S)-(+-)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.