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CAS 183062-95-5 2-(1-tert-butoxy carbonyl azetidin-3-yl) malonic acid diethyl ester molecular structure lightbox
CAS RN: 183062-95-5

2-(1-tert-butoxy carbonyl azetidin-3-yl) malonic acid diethyl ester

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260313 100mg / 250mg / 500mg Confirm by inquiry Shanghai 1 business days Inquiry
  • Product code: SSC-084696
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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 183062-95-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

183062-95-5 / diethyl 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]propanedioate

Standard CAS: 183062-95-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
183062-95-5
Multi CAS
No
Molecular Formula
C15H25NO6
Molecular Weight
315.360000
Exact Mass
315.168188
SMILES
CCOC(=O)C(C1CN(C1)C(=O)OC(C)(C)C)C(=O)OCC
InChI
InChI=1S/C15H25NO6/c1-6-20-12(17)11(13(18)21-7-2)10-8-16(9-10)14(19)22-15(3,4)5/h10-11H,6-9H2,1-5H3
InChIKey
KTCLYNBSLIGGFX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Fraction Csp3
0.8
Rotatable bonds
5
H-bond acceptors
6
Molar refractivity
78.05
TPSA
82.14

LogP / Solubility

WLOGP
1.6
MLOGP
1.42
XLogP3
1.8
Consensus LogP
1.61
Log S (ESOL)
-2.47
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.3
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.63
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.51

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5

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