Prothioconazole-desthio
TL;DR: Prothioconazole-desthio (CAS 120983-64-4) is a chemical compound with molecular formula C14H15Cl2N3O and molecular weight 311.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1-chlorocyclopropyl)-1-(2-chlorophenyl)-3-(1,2,4-triazol-1-yl)propan-2-ol
Also Known As: Prothioconazole-desthio, prothioconazole TP2, Desthioprothioconazole, Desthio-prothioconazole, PTC-d
| Molecular Formula | C14H15Cl2N3O |
|---|---|
| Molecular Weight | 311.06 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 50.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 311.0592 |
| Heavy Atoms | 20 |
| Complexity | 353.0 |
Chemical Identifiers
| CAS Number | 120983-64-4 |
|---|---|
| SMILES | C1CC1(C(CC2=CC=CC=C2Cl)(CN3C=NC=N3)O)Cl |
| InChIKey | HHUQPWODPBDTLI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Prothioconazole-desthio (CAS 120983-64-4), with molecular formula C14H15Cl2N3O and molecular weight 311.06 g/mol. IUPAC: 2-(1-chlorocyclopropyl)-1-(2-chlorophenyl)-3-(1,2,4-triazol-1-yl)propan-2-ol.
Chemical Property Profile of Prothioconazole-desthio
Property Insights of Prothioconazole-desthio
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Prothioconazole-desthio. With a topological polar surface area (TPSA) of 50.9 Ų, Prothioconazole-desthio exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Prothioconazole-desthio 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 Prothioconazole-desthio?
The CAS number of Prothioconazole-desthio is 120983-64-4.
What is the molecular formula of Prothioconazole-desthio?
The molecular formula of Prothioconazole-desthio is C14H15Cl2N3O.
What is the molecular weight of Prothioconazole-desthio?
The molecular weight of Prothioconazole-desthio is 311.06 g/mol.
Where can I buy Prothioconazole-desthio?
You can request a quote for Prothioconazole-desthio directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Prothioconazole-desthio?
Yes, KEHONG BIO provides custom synthesis services for Prothioconazole-desthio and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.