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CAS 1054483-33-8 1-(4-BROMOBENZYL)AZETIDIN-3-OL molecular structure lightbox
CAS RN: 1054483-33-8

1-(4-BROMOBENZYL)AZETIDIN-3-OL

  • Product code: SSC-007186
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 1g, 5g, 0.1g, 0.25g
  • Available purity: >97%
  • Inventory rows with stock: 4
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1054483-33-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >97% 5 In Stock Shenzhen Inquiry
5g >97% 5 In Stock Shanghai Inquiry
0.1g >97% 3 In Stock Beijing Inquiry
0.25g >97% 2 In Stock Shanghai Inquiry

1054483-33-8 / 1-[(4-bromophenyl)methyl]azetidin-3-ol

1-(4-Bromobenzyl)-3-hydroxyazetidine | 1-(4-bromobenzyl)azetidin-3-ol | 1-[(4-bromophenyl)methyl]azetidin-3-ol

Standard CAS: 1054483-33-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1054483-33-8
Multi CAS
Yes
Molecular Formula
C10H12BrNO
Molecular Weight
242.110000
Exact Mass
241.010230
SMILES
C1C(CN1CC2=CC=C(C=C2)Br)O
InChI
InChI=1S/C10H12BrNO/c11-9-3-1-8(2-4-9)5-12-6-10(13)7-12/h1-4,10,13H,5-7H2
InChIKey
ICKLFNDLXRKNQP-UHFFFAOYSA-N
Synonyms
1-(4-Bromobenzyl)-3-hydroxyazetidine 1-(4-bromobenzyl)azetidin-3-ol 1-[(4-bromophenyl)methyl]azetidin-3-ol MFCD11849010 AKOS012391515

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
55.43
TPSA
23.47

LogP / Solubility

WLOGP
1.63
MLOGP
1.44
XLogP3
1.6
Consensus LogP
1.56
Log S (ESOL)
-2.57
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.72
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.82
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)
-3.04

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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