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CAS 208462-94-6 HNTU molecular structure lightbox
CAS RN: 208462-94-6

HNTU

Product Availability

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5 package records5 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260210 100g In stock Tianjin, Chengdu Inquiry
Batchno.20250722 10g In stock Shanghai, Tianjin, Chengdu Inquiry
Batchno.20260426 25g In stock Shanghai, Tianjin, Chengdu Inquiry
Batchno.20250615 5g In stock Shanghai, Tianjin Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250708 5g / 25g / 100g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-097996
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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: 25g, 100g
  • 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 208462-94-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥95% 0 Out of Stock Shanghai Inquiry
100g ≥95% 0 Out of Stock Hong Kong Inquiry

208462-94-6 / [dimethylamino-[(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)oxy]methylidene]-dimethylazanium hexafluorophosphate

Standard CAS: 208462-94-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
208462-94-6
Multi CAS
No
Molecular Formula
C14H20F6N3O3P
Molecular Weight
423.290000
Exact Mass
423.114647
SMILES
CN(C)C(=[N+](C)C)ON1C(=O)C2C3CC(C2C1=O)C=C3.F[P-](F)(F)(F)(F)F
InChI
InChI=1S/C14H20N3O3.F6P/c1-15(2)14(16(3)4)20-17-12(18)10-8-5-6-9(7-8)11(10)13(17)19;1-7(2,3,4,5)6/h5-6,8-11H,7H2,1-4H3;/q+1;-1
InChIKey
GOTDTGXRAJEDHP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
27
Fraction Csp3
0.64
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
85.03
TPSA
52.86

LogP / Solubility

WLOGP
3.3
MLOGP
2.93
XLogP3
3.3
Consensus LogP
3.18
Log S (ESOL)
-4.48
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.41
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.27
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.96

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
6.5

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