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CAS 120983-64-4 prothioconazole-desthio molecular structure lightbox
CAS RN: 120983-64-4

prothioconazole-desthio

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6 package records6 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250713 100g In stock Shanghai Inquiry
Batchno.20250721 1g In stock Shanghai, Shenzhen, Tianjin, Wuhan Inquiry
Batchno.20250909 250mg In stock Shanghai, Shenzhen Inquiry
Batchno.20251220 25g In stock Shanghai Inquiry
Batchno.20251206 500g In stock Shanghai Inquiry
Batchno.20260416 5g In stock Shanghai Inquiry
  • Product code: SSC-022316
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 120983-64-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

120983-64-4 / 2-(1-chlorocyclopropyl)-1-(2-chlorophenyl)-3-(1,2,4-triazol-1-yl)propan-2-ol

alpha-(1-Chlorocyclopropyl)-alpha-((2-chlorophenyl)methyl)-1H-1,2,4-triazole-1-ethanol | RefChem:450900 | Prothioconazole-desthio

Standard CAS: 120983-64-4 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
120983-64-4
Multi CAS
Yes
Molecular Formula
C14H15Cl2N3O
Molecular Weight
312.200000
Exact Mass
311.059218
SMILES
C1CC1(C(CC2=CC=CC=C2Cl)(CN3C=NC=N3)O)Cl
InChI
InChI=1S/C14H15Cl2N3O/c15-12-4-2-1-3-11(12)7-14(20,13(16)5-6-13)8-19-10-17-9-18-19/h1-4,9-10,20H,5-8H2
InChIKey
HHUQPWODPBDTLI-UHFFFAOYSA-N
Synonyms
alpha-(1-Chlorocyclopropyl)-alpha-((2-chlorophenyl)methyl)-1H-1,2,4-triazole-1-ethanol RefChem:450900 Prothioconazole-desthio 2-(1-chlorocyclopropyl)-1-(2-chlorophenyl)-3-(1H-1,2,4-triazol-1-yl)propan-2-ol 2-(1-chlorocyclopropyl)-1-(2-chlorophenyl)-3-(1,2,4-triazol-1-yl)propan-2-ol

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
11
Fraction Csp3
0.43
Rotatable bonds
5
H-bond acceptors
4
H-bond donors
1
Molar refractivity
77.95
TPSA
50.94

LogP / Solubility

WLOGP
2.68
MLOGP
2.37
XLogP3
2.7
Consensus LogP
2.58
Log S (ESOL)
-3.54
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.05
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.51
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.72

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (93.5%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (93.5%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (93.5%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (93.5%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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