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CAS 426828-34-4 4-Amidinotetrahydro-2H-pyran hydrochloride molecular structure lightbox
CAS RN: 426828-34-4

4-Amidinotetrahydro-2H-pyran hydrochloride

  • Product code: SSC-150962
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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: 0.25g, 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 426828-34-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shenzhen Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

426828-34-4 / oxane-4-carboximidamide;hydrochloride

Standard CAS: 426828-34-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
426828-34-4
Multi CAS
Yes
Molecular Formula
C6H13CLN2O
Molecular Weight
164.630000
Exact Mass
164.071641
InChI
InChI=1S/C6H12N2O.ClH/c7-6(8)5-1-3-9-4-2-5;/h5H,1-4H2,(H3,7,8);1H
InChIKey
FKKMOZYIBVNGAP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
0.83
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
42.71
TPSA
59.1

LogP / Solubility

WLOGP
0.77
MLOGP
0.67
XLogP3
0.77
Consensus LogP
0.74
Log S (ESOL)
-1.28
Class (ESOL)
Soluble
Log S (Ali)
-1.47
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.49
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)
-3.18

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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