多效唑
TL;DR: 多效唑 (CAS 76738-62-0) 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.
多效唑
(2S,3S)-1-(4-chlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pentan-3-ol
Also Known As: Paclobutrazol, Bonzi, Friazole, Trimmit, Cultar
| Molecular Formula | C15H20ClN3O |
|---|---|
| Molecular Weight | 293.13 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 50.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 293.1295 |
| Heavy Atoms | 20 |
| Complexity | 300.0 |
Chemical Identifiers
| CAS Number | 76738-62-0 |
|---|---|
| SMILES | CC(C)(C)[C@@H]([C@H](CC1=CC=C(C=C1)Cl)N2C=NC=N2)O |
| InChIKey | RMOGWMIKYWRTKW-UONOGXRCSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
多效唑 (CAS 76738-62-0), with molecular formula C15H20ClN3O and molecular weight 293.13 g/mol. IUPAC: (2S,3S)-1-(4-chlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pentan-3-ol.
Chemical Property Profile of 多效唑
Property Insights of 多效唑
The XLogP value of 3.2 indicates that 多效唑 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.9 Ų, 多效唑 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 多效唑 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 多效唑?
The CAS number of 多效唑 is 76738-62-0.
What is the molecular formula of 多效唑?
The molecular formula of 多效唑 is C15H20ClN3O.
What is the molecular weight of 多效唑?
The molecular weight of 多效唑 is 293.13 g/mol.
Where can I buy 多效唑?
You can request a quote for 多效唑 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 多效唑?
Yes, KEHONG BIO provides custom synthesis services for 多效唑 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.