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CAS 1782647-31-7 1,3-Azetidinedicarboxylic acid, 3-amino-, 1-(1,1-dimethylethyl) 3-methyl ester molecular structure lightbox
CAS RN: 1782647-31-7

1,3-Azetidinedicarboxylic acid, 3-amino-, 1-(1,1-dimethylethyl) 3-methyl ester

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250930 100mg In stock Shanghai Inquiry
  • Product code: SSC-078728
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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 1782647-31-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

1782647-31-7 / 1-O-tert-butyl 3-O-methyl 3-aminoazetidine-1,3-dicarboxylate

Standard CAS: 1782647-31-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1782647-31-7
Multi CAS
No
Molecular Formula
C10H18N2O4
Molecular Weight
230.260000
Exact Mass
230.126657
SMILES
CC(C)(C)OC(=O)N1CC(C1)(C(=O)OC)N
InChI
InChI=1S/C10H18N2O4/c1-9(2,3)16-8(14)12-5-10(11,6-12)7(13)15-4/h5-6,11H2,1-4H3
InChIKey
BINCCFKDJYPIFA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Fraction Csp3
0.8
Rotatable bonds
1
H-bond acceptors
5
H-bond donors
1
Molar refractivity
56.74
TPSA
81.86

LogP / Solubility

WLOGP
0.11
MLOGP
0.1
XLogP3
-0.3
Consensus LogP
-0.03
Log S (ESOL)
-1.27
Class (ESOL)
Soluble
Log S (Ali)
-1.53
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.37
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)
-4.05

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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