Triadimenol, threo-
TL;DR: Triadimenol, threo- (CAS 70585-37-4) is a chemical compound with molecular formula C14H18ClN3O2 and molecular weight 295.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,2S)-1-(4-chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-ol
Also Known As: Triadimenol B, Threo-Triadimenol, Triadimenol II, Triadimenol, threo-, Baytan
| Molecular Formula | C14H18ClN3O2 |
|---|---|
| Molecular Weight | 295.11 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 60.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 295.10876 |
| Heavy Atoms | 20 |
| Complexity | 303.0 |
Chemical Identifiers
| CAS Number | 70585-37-4 |
|---|---|
| SMILES | CC(C)(C)[C@@H]([C@@H](N1C=NC=N1)OC2=CC=C(C=C2)Cl)O |
| InChIKey | BAZVSMNPJJMILC-OLZOCXBDSA-N |
Product Overview
Triadimenol, threo- (CAS 70585-37-4), with molecular formula C14H18ClN3O2 and molecular weight 295.11 g/mol. IUPAC: (1S,2S)-1-(4-chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-ol.
Chemical Property Profile of Triadimenol, threo-
Property Insights of Triadimenol, threo-
The XLogP value of 3.1 indicates that Triadimenol, threo- 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 Triadimenol, threo-. Following Lipinski's Rule of Five, Triadimenol, threo- 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 Triadimenol, threo-?
The CAS number of Triadimenol, threo- is 70585-37-4.
What is the molecular formula of Triadimenol, threo-?
The molecular formula of Triadimenol, threo- is C14H18ClN3O2.
What is the molecular weight of Triadimenol, threo-?
The molecular weight of Triadimenol, threo- is 295.11 g/mol.
Where can I buy Triadimenol, threo-?
You can request a quote for Triadimenol, threo- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Triadimenol, threo-?
Yes, KEHONG BIO provides custom synthesis services for Triadimenol, threo- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.