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CAS 1281576-23-5 1-piperidinecarboxylic acid, 4-bromo-2-methyl-, 1,1-dimethylethyl ester molecular structure lightbox
CAS RN: 1281576-23-5

1-piperidinecarboxylic acid, 4-bromo-2-methyl-, 1,1-dimethylethyl ester

  • Product code: SSC-035494
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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 1281576-23-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

1281576-23-5 / tert-butyl 4-bromo-2-methylpiperidine-1-carboxylate

Standard CAS: 1281576-23-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1281576-23-5
Multi CAS
No
Molecular Formula
C11H20BrNO2
Molecular Weight
278.190000
Exact Mass
277.067740
SMILES
CC1CC(CCN1C(=O)OC(C)(C)C)Br
InChI
InChI=1S/C11H20BrNO2/c1-8-7-9(12)5-6-13(8)10(14)15-11(2,3)4/h8-9H,5-7H2,1-4H3
InChIKey
DSZDIMCIQZSYOF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Fraction Csp3
0.91
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
64.35
TPSA
29.54

LogP / Solubility

WLOGP
3.17
MLOGP
2.8
XLogP3
2.9
Consensus LogP
2.96
Log S (ESOL)
-3.56
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.13
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.1
Class (SILICOS-IT)
Slightly 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)
-2.17

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
2.5

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