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CAS 1375303-15-3 2-(1-benzhydrylazetidin-3-yl)propane-1,3-diol molecular structure lightbox
CAS RN: 1375303-15-3

2-(1-benzhydrylazetidin-3-yl)propane-1,3-diol

  • Product code: SSC-047239
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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 1375303-15-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

1375303-15-3 / 2-(1-benzhydrylazetidin-3-yl)propane-1,3-diol

Standard CAS: 1375303-15-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1375303-15-3
Multi CAS
No
Molecular Formula
C19H23NO2
Molecular Weight
297.400000
Exact Mass
297.172879
SMILES
C1C(CN1C(C2=CC=CC=C2)C3=CC=CC=C3)C(CO)CO
InChI
InChI=1S/C19H23NO2/c21-13-18(14-22)17-11-20(12-17)19(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,17-19,21-22H,11-14H2
InChIKey
LGOWMIBQEVVRKX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
12
Fraction Csp3
0.37
Rotatable bonds
6
H-bond acceptors
3
H-bond donors
2
Molar refractivity
87.45
TPSA
43.7

LogP / Solubility

WLOGP
2.31
MLOGP
2.04
XLogP3
2.4
Consensus LogP
2.25
Log S (ESOL)
-3.15
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.67
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.23
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.9

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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