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CAS 35677-87-3 1-ACETYL-2-PIPERIDINECARBOXYLIC ACID molecular structure lightbox
CAS RN: 35677-87-3

1-ACETYL-2-PIPERIDINECARBOXYLIC ACID

  • Product code: SSC-142710
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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 35677-87-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Hong Kong Inquiry

35677-87-3 / 1-acetylpiperidine-2-carboxylic acid

Standard CAS: 35677-87-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
35677-87-3
Multi CAS
Yes
Molecular Formula
C8H13NO3
Molecular Weight
171.190000
Exact Mass
171.089543
InChI
InChI=1S/C8H13NO3/c1-6(10)9-5-3-2-4-7(9)8(11)12/h7H,2-5H2,1H3,(H,11,12)
InChIKey
JACZWLDAHFCGCC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
0.75
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
42.66
TPSA
57.61

LogP / Solubility

WLOGP
0.47
MLOGP
0.41
XLogP3
-0.3
Consensus LogP
0.19
Log S (ESOL)
-1.13
Class (ESOL)
Soluble
Log S (Ali)
-1.3
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.28
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.43

Drug-likeness / Medicinal Chemistry

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

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