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CAS 442199-16-8 4-(6-Chloro-pyridazin-3-yloxy)-piperidine-1-carboxylic acid tert-butyl ester, 98+% C14H20ClN3O3, MW: 313.78 molecular structure lightbox
CAS RN: 442199-16-8

4-(6-Chloro-pyridazin-3-yloxy)-piperidine-1-carboxylic acid tert-butyl ester, 98+% C14H20ClN3O3, MW: 313.78

  • Product code: SSC-152206
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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 442199-16-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

442199-16-8 / tert-butyl 4-(6-chloropyridazin-3-yl)oxypiperidine-1-carboxylate

Standard CAS: 442199-16-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
442199-16-8
Multi CAS
No
Molecular Formula
C14H20CLN3O3
Molecular Weight
313.780000
Exact Mass
313.119319
InChI
InChI=1S/C14H20ClN3O3/c1-14(2,3)21-13(19)18-8-6-10(7-9-18)20-12-5-4-11(15)16-17-12/h4-5,10H,6-9H2,1-3H3
InChIKey
HSMDYETYICNJOH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
6
Fraction Csp3
0.64
Rotatable bonds
2
H-bond acceptors
5
Molar refractivity
78.5
TPSA
64.55

LogP / Solubility

WLOGP
2.91
MLOGP
2.57
XLogP3
2.6
Consensus LogP
2.69
Log S (ESOL)
-3.7
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.23
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.35
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
No
Log Kp (skin permeation)
-2.57

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5

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