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CAS 1779450-04-2 1,3-piperidinedicarboxylic acid, 3-amino-, 1-(1,1-dimethylethyl) 3-methyl ester molecular structure lightbox
CAS RN: 1779450-04-2

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

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260323 100mg / 250mg / 500mg Out of stock 1 business days Inquiry
  • Product code: SSC-077822
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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 1779450-04-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1779450-04-2 / 1-O-tert-butyl 3-O-methyl 3-aminopiperidine-1,3-dicarboxylate

Standard CAS: 1779450-04-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1779450-04-2
Multi CAS
No
Molecular Formula
C12H22N2O4
Molecular Weight
258.310000
Exact Mass
258.157957
SMILES
CC(C)(C)OC(=O)N1CCCC(C1)(C(=O)OC)N
InChI
InChI=1S/C12H22N2O4/c1-11(2,3)18-10(16)14-7-5-6-12(13,8-14)9(15)17-4/h5-8,13H2,1-4H3
InChIKey
VUKOJTPPLYJJTI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Fraction Csp3
0.83
Rotatable bonds
1
H-bond acceptors
5
H-bond donors
1
Molar refractivity
65.98
TPSA
81.86

LogP / Solubility

WLOGP
0.89
MLOGP
0.79
XLogP3
0.4
Consensus LogP
0.69
Log S (ESOL)
-1.93
Class (ESOL)
Soluble
Log S (Ali)
-2.32
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.2
Class (SILICOS-IT)
Moderately 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)
-3.67

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2

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