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CAS 1408075-52-4 tert-butyl 3-(bromomethyl)-3-methylazetidine-1-carboxylate molecular structure lightbox
CAS RN: 1408075-52-4

tert-butyl 3-(bromomethyl)-3-methylazetidine-1-carboxylate

Product Availability

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4 package records3 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250728 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250928 100mg In stock Shanghai Inquiry
Batchno.20251109 1g In stock Shanghai Inquiry
Batchno.20251114 250mg In stock Shanghai Inquiry
  • Product code: SSC-051342
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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: 0.1g, 0.25g, 1g
  • Available purity: >97%
  • Inventory rows with stock: 2
  • 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 1408075-52-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >97% 1 In Stock Beijing Inquiry
0.25g >97% 1 In Stock Beijing Inquiry
1g >97% 0 Out of Stock Beijing Inquiry

1408075-52-4 / tert-butyl 3-(bromomethyl)-3-methylazetidine-1-carboxylate

Standard CAS: 1408075-52-4 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1408075-52-4
Multi CAS
No
Molecular Formula
C10H18BrNO2
Molecular Weight
264.160000
Exact Mass
263.052090
SMILES
CC1(CN(C1)C(=O)OC(C)(C)C)CBr
InChI
InChI=1S/C10H18BrNO2/c1-9(2,3)14-8(13)12-6-10(4,5-11)7-12/h5-7H2,1-4H3
InChIKey
AIQVICNBUVBHFX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Fraction Csp3
0.9
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
59.71
TPSA
29.54

LogP / Solubility

WLOGP
2.64
MLOGP
2.33
XLogP3
2.3
Consensus LogP
2.42
Log S (ESOL)
-3.07
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.63
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.69
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.46

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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