Paclobutrazol
TL;DR: Paclobutrazol (CAS 76738-64-2) is a chemical compound with molecular formula C15H20ClN3O and molecular weight 293.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3R)-1-(4-chlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pentan-3-ol
Also Known As: Paclobutrazol, Paclobutrazol Impurity 2, 2S,3R-Paclobutrazol, rel-(2R,3S)-Paclobutrazol, 1H-1,2,4-Triazole-1-ethanol, beta-((4-chlorophenyl)methyl)-alpha-(1,1-dimethylethyl)-, (R-(R*,S*))-
| Molecular Formula | C15H20ClN3O |
|---|---|
| Molecular Weight | 293.13 g/mol |
| LogP | 3.1223 |
| Topological Polar Surface Area | 50.94 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 293.1295 |
| Heavy Atoms | 20 |
| Complexity | 531.24634 |
Chemical Identifiers
| CAS Number | 76738-64-2 |
|---|---|
| SMILES | CC(C)(C)[C@H]([C@H](CC1=CC=C(C=C1)Cl)N2C=NC=N2)O |
Product Overview
Paclobutrazol (CAS 76738-64-2), with molecular formula C15H20ClN3O and molecular weight 293.13 g/mol. IUPAC: (2S,3R)-1-(4-chlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pentan-3-ol.
Chemical Property Profile of Paclobutrazol
Property Insights of Paclobutrazol
The XLogP value of 3.1223 indicates that Paclobutrazol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.94 Ų, Paclobutrazol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Paclobutrazol 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 Paclobutrazol?
The CAS number of Paclobutrazol is 76738-64-2.
What is the molecular formula of Paclobutrazol?
The molecular formula of Paclobutrazol is C15H20ClN3O.
What is the molecular weight of Paclobutrazol?
The molecular weight of Paclobutrazol is 293.13 g/mol.
Where can I buy Paclobutrazol?
You can request a quote for Paclobutrazol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Paclobutrazol?
Yes, KEHONG BIO provides custom synthesis services for Paclobutrazol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.