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CAS 1415564-55-4 3-(pyridin-2-yl)azetidin-3-ol.2HCl molecular structure lightbox
CAS RN: 1415564-55-4

3-(pyridin-2-yl)azetidin-3-ol.2HCl

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260223 100mg / 1g Out of stock 15 business days Inquiry
  • Product code: SSC-051900
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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 1415564-55-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

1415564-55-4 / 3-pyridin-2-ylazetidin-3-ol;dihydrochloride

Standard CAS: 1415564-55-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1415564-55-4
Multi CAS
No
Molecular Formula
C8H12Cl2N2O
Molecular Weight
223.100000
Exact Mass
222.032668
SMILES
C1C(CN1)(C2=CC=CC=N2)O.Cl.Cl
InChI
InChI=1S/C8H10N2O.2ClH/c11-8(5-9-6-8)7-3-1-2-4-10-7;;/h1-4,9,11H,5-6H2;2*1H
InChIKey
IXKQTUNNCHZFBW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.38
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
55.5
TPSA
45.15

LogP / Solubility

WLOGP
0.72
MLOGP
0.63
XLogP3
0.72
Consensus LogP
0.69
Log S (ESOL)
-1.95
Class (ESOL)
Soluble
Log S (Ali)
-1.91
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.82
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)
-3.57

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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