Bitertanol, (R,R)-(+/-)-
TL;DR: Bitertanol, (R,R)-(+/-)- (CAS 98169-52-9) 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.
(1R,2R)-3,3-dimethyl-1-(4-phenylphenoxy)-1-(1,2,4-triazol-1-yl)butan-2-ol
Also Known As: Bitertanol, Bitertanol, isomer 1, Bitertanol, (R,R)-(+/-)-, (1R,2R)-bitertanol, (R,R)-(+/-)-bitertanol
| 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 | 98169-52-9 |
|---|---|
| SMILES | CC(C)(C)[C@H]([C@H](N1C=NC=N1)OC2=CC=C(C=C2)C3=CC=CC=C3)O |
| InChIKey | VGPIBGGRCVEHQZ-RBUKOAKNSA-N |
Product Overview
Bitertanol, (R,R)-(+/-)- (CAS 98169-52-9), with molecular formula C20H23N3O2 and molecular weight 337.18 g/mol. IUPAC: (1R,2R)-3,3-dimethyl-1-(4-phenylphenoxy)-1-(1,2,4-triazol-1-yl)butan-2-ol.
Chemical Property Profile of Bitertanol, (R,R)-(+/-)-
Property Insights of Bitertanol, (R,R)-(+/-)-
The XLogP value of 4.2 indicates that Bitertanol, (R,R)-(+/-)- 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,R)-(+/-)-. Following Lipinski's Rule of Five, Bitertanol, (R,R)-(+/-)- 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,R)-(+/-)-?
The CAS number of Bitertanol, (R,R)-(+/-)- is 98169-52-9.
What is the molecular formula of Bitertanol, (R,R)-(+/-)-?
The molecular formula of Bitertanol, (R,R)-(+/-)- is C20H23N3O2.
What is the molecular weight of Bitertanol, (R,R)-(+/-)-?
The molecular weight of Bitertanol, (R,R)-(+/-)- is 337.18 g/mol.
Where can I buy Bitertanol, (R,R)-(+/-)-?
You can request a quote for Bitertanol, (R,R)-(+/-)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bitertanol, (R,R)-(+/-)-?
Yes, KEHONG BIO provides custom synthesis services for Bitertanol, (R,R)-(+/-)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.