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CAS 2007919-81-3 1-Azetidinecarboxylic acid, 3-bromo-3-(hydroxymethyl)-, 1,1-dimethylethyl ester molecular structure lightbox
CAS RN: 2007919-81-3

1-Azetidinecarboxylic acid, 3-bromo-3-(hydroxymethyl)-, 1,1-dimethylethyl ester

Product Availability

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4 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260531 1g In stock Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250820 250mg In stock Shanghai, Tianjin Inquiry
Batchno.20250920 250mg / 1g / 5g Out of stock 8-10 business days Inquiry
Batchno.20251204 5g Out of stock Inquiry
  • Product code: SSC-094719
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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: ＞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 2007919-81-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Beijing Inquiry

2007919-81-3 / tert-butyl 3-bromo-3-(hydroxymethyl)azetidine-1-carboxylate

Standard CAS: 2007919-81-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2007919-81-3
Multi CAS
No
Molecular Formula
C9H16BrNO3
Molecular Weight
266.130000
Exact Mass
265.031360
SMILES
CC(C)(C)OC(=O)N1CC(C1)(CO)Br
InChI
InChI=1S/C9H16BrNO3/c1-8(2,3)14-7(13)11-4-9(10,5-11)6-12/h12H,4-6H2,1-3H3
InChIKey
AFCHOIOACNROFT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Fraction Csp3
0.89
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
56.55
TPSA
49.77

LogP / Solubility

WLOGP
1.36
MLOGP
1.21
XLogP3
0.8
Consensus LogP
1.12
Log S (ESOL)
-2.28
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.73
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.64
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.38

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

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