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CAS 1094223-48-9 [1-(6-Chloropyridazin-3-yl)piperidin-4-yl]methanol molecular structure lightbox
CAS RN: 1094223-48-9

[1-(6-Chloropyridazin-3-yl)piperidin-4-yl]methanol

  • Product code: SSC-010721
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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, 5g
  • Available purity: >97%
  • 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 1094223-48-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g >97% 0 Out of Stock Beijing Inquiry
1g >97% 0 Out of Stock Shanghai Inquiry
5g >97% 0 Out of Stock Shenzhen Inquiry

1094223-48-9 / [1-(6-chloropyridazin-3-yl)piperidin-4-yl]methanol

(1-(6-chloropyridazin-3-yl)piperidin-4-yl)methanol | [1-(6-CHLOROPYRIDAZIN-3-YL)PIPERIDIN-4-YL]METHANOL | [1-(6-Chloro-3-pyridazinyl)-4-piperidyl]methanol

Standard CAS: 1094223-48-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1094223-48-9
Multi CAS
No
Molecular Formula
C10H14ClN3O
Molecular Weight
227.690000
Exact Mass
227.082540
SMILES
C1CN(CCC1CO)C2=NN=C(C=C2)Cl
InChI
InChI=1S/C10H14ClN3O/c11-9-1-2-10(13-12-9)14-5-3-8(7-15)4-6-14/h1-2,8,15H,3-7H2
InChIKey
PTLASJDXVKFBFX-UHFFFAOYSA-N
Synonyms
(1-(6-chloropyridazin-3-yl)piperidin-4-yl)methanol [1-(6-CHLOROPYRIDAZIN-3-YL)PIPERIDIN-4-YL]METHANOL [1-(6-Chloro-3-pyridazinyl)-4-piperidyl]methanol MFCD11205547 SCHEMBL9198277

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.6
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
59.06
TPSA
49.25

LogP / Solubility

WLOGP
1.34
MLOGP
1.18
XLogP3
1.3
Consensus LogP
1.27
Log S (ESOL)
-2.26
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.39
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.49
Class (SILICOS-IT)
Moderately 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)
-3.16

Drug-likeness / Medicinal Chemistry

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

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