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CAS 1008-30-6 2,4-Dihydro-4-phenyl-3H-1,2,4-triazol-3-one molecular structure lightbox
CAS RN: 1008-30-6

2,4-Dihydro-4-phenyl-3H-1,2,4-triazol-3-one

Product Availability

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5 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260615 10g In stock Shanghai Inquiry
Batchno.20250826 1g In stock Shanghai Inquiry
Batchno.20260331 250mg In stock Shanghai Inquiry
Batchno.20260312 25g In stock Shanghai Inquiry
Batchno.20250922 5g In stock Shanghai Inquiry
  • Product code: SSC-001518
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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 1008-30-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

1008-30-6 / 4-phenyl-1H-1,2,4-triazol-5-one

4-phenyl-4,5-dihydro-1H-1,2,4-triazol-5-one | RefChem:526373 | 834-451-7

Standard CAS: 1008-30-6 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1008-30-6
Multi CAS
Yes
Molecular Formula
C8H7N3O
Molecular Weight
161.160000
Exact Mass
161.058912
SMILES
C1=CC=C(C=C1)N2C=NNC2=O
InChI
InChI=1S/C8H7N3O/c12-8-10-9-6-11(8)7-4-2-1-3-5-7/h1-6H,(H,10,12)
InChIKey
UYVVGXZLFHZTKT-UHFFFAOYSA-N
Synonyms
4-phenyl-4,5-dihydro-1H-1,2,4-triazol-5-one RefChem:526373 834-451-7 4-phenyl-2,4-dihydro-3H-1,2,4-triazol-3-one 2,4-Dihydro-4-phenyl-3H-1,2,4-triazol-3-one

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
11
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
44.18
TPSA
50.68

LogP / Solubility

WLOGP
0.56
MLOGP
0.49
XLogP3
0.9
Consensus LogP
0.65
Log S (ESOL)
-1.8
Class (ESOL)
Soluble
Log S (Ali)
-1.29
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.29
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.31

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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