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CAS 1008526-70-2 1-Boc-3-hydroxy-3-(nitromethyl)azetidine molecular structure lightbox
CAS RN: 1008526-70-2

1-Boc-3-hydroxy-3-(nitromethyl)azetidine

Product Availability

Choose a grade to view its available package options.

4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251006 1g In stock Shenzhen, Tianjin, Chengdu Inquiry
Batchno.20250825 1g / 5g / 25g Out of stock 5-7 business days Inquiry
Batchno.20250617 25g In stock Shenzhen, Chengdu Inquiry
Batchno.20260613 5g In stock Shenzhen Inquiry
  • Product code: SSC-001588
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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: 5g, 10g
  • 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 1008526-70-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry
10g ≥95% 0 Out of Stock Hong Kong Inquiry

1008526-70-2 / tert-butyl 3-hydroxy-3-(nitromethyl)azetidine-1-carboxylate

tert-butyl 3-hydroxy-3-(nitromethyl)azetidine-1-carboxylate | 1-BOC-3-HYDROXY-3-(NITROMETHYL)AZETIDINE | MFCD17015985

Standard CAS: 1008526-70-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1008526-70-2
Multi CAS
No
Molecular Formula
C9H16N2O5
Molecular Weight
232.230000
Exact Mass
232.105922
SMILES
CC(C)(C)OC(=O)N1CC(C1)(C[N+](=O)[O-])O
InChI
InChI=1S/C9H16N2O5/c1-8(2,3)16-7(12)10-4-9(13,5-10)6-11(14)15/h13H,4-6H2,1-3H3
InChIKey
DUYWGUJDIRKARQ-UHFFFAOYSA-N
Synonyms
tert-butyl 3-hydroxy-3-(nitromethyl)azetidine-1-carboxylate 1-BOC-3-HYDROXY-3-(NITROMETHYL)AZETIDINE MFCD17015985 1-Azetidinecarboxylic acid, 3-hydroxy-3-(nitromethyl)-, 1,1-dimethylethyl ester SCHEMBL3119841

Computed Properties

Structural Parameters

Heavy atom count
16
Fraction Csp3
0.89
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
1
Molar refractivity
54.62
TPSA
92.91

LogP / Solubility

WLOGP
0.24
MLOGP
0.22
XLogP3
0.4
Consensus LogP
0.29
Log S (ESOL)
-1.3
Class (ESOL)
Soluble
Log S (Ali)
-1.64
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.61
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.96

Drug-likeness / Medicinal Chemistry

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

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