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CAS 913264-41-2 4-(1-Hydroxyimino-2-methylpropylcarbamoyl)-piperidine-1-carboxylic acid tert-butyl ester molecular structure lightbox
CAS RN: 913264-41-2

4-(1-Hydroxyimino-2-methylpropylcarbamoyl)-piperidine-1-carboxylic acid tert-butyl ester

  • Product code: SSC-204274
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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
  • 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 913264-41-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Hong Kong Inquiry

913264-41-2 / tert-butyl 4-[[(E)-N-hydroxy-C-propan-2-ylcarbonimidoyl]carbamoyl]piperidine-1-carboxylate

Standard CAS: 913264-41-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
913264-41-2
Multi CAS
Yes
Molecular Formula
C15H27N3O4
Molecular Weight
313.390000
Exact Mass
313.200156
InChI
InChI=1S/C15H27N3O4/c1-10(2)12(17-21)16-13(19)11-6-8-18(9-7-11)14(20)22-15(3,4)5/h10-11,21H,6-9H2,1-5H3,(H,16,17,19)
InChIKey
HTJRCEYKHUSTMA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Fraction Csp3
0.8
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
2
Molar refractivity
82.73
TPSA
91.23

LogP / Solubility

WLOGP
2.19
MLOGP
1.94
XLogP3
2
Consensus LogP
2.04
Log S (ESOL)
-3.03
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.71
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.76
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)
-3.07

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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