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CAS 105751-19-7 FMOC-D-PIPECOLIC ACID molecular structure lightbox
CAS RN: 105751-19-7

FMOC-D-PIPECOLIC ACID

  • Product code: SSC-007453
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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: ＞97%
  • 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 105751-19-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Hong Kong Inquiry

105751-19-7 / 1-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-2-carboxylic acid

1-[(9H-fluoren-9-ylmethoxy)carbonyl]piperidine-2-carboxylic acid | RefChem:418781 | 1-((9H-fluoren-9-ylmethoxy)carbonyl)piperidine-2-carboxylic acid

Standard CAS: 105751-19-7 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
105751-19-7
Multi CAS
Yes
Molecular Formula
C21H21NO4
Molecular Weight
351.400000
Exact Mass
351.147058
SMILES
C1CCN(C(C1)C(=O)O)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C21H21NO4/c23-20(24)19-11-5-6-12-22(19)21(25)26-13-18-16-9-3-1-7-14(16)15-8-2-4-10-17(15)18/h1-4,7-10,18-19H,5-6,11-13H2,(H,23,24)
InChIKey
CKLAZLINARHOTG-UHFFFAOYSA-N
Synonyms
1-[(9H-fluoren-9-ylmethoxy)carbonyl]piperidine-2-carboxylic acid RefChem:418781 1-((9H-fluoren-9-ylmethoxy)carbonyl)piperidine-2-carboxylic acid 631-279-2 1-(((9H-Fluoren-9-yl)methoxy)carbonyl)piperidine-2-carboxylic acid

Computed Properties

Structural Parameters

Heavy atom count
26
Aromatic heavy atom count
12
Fraction Csp3
0.33
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
97.05
TPSA
66.84

LogP / Solubility

WLOGP
3.87
MLOGP
3.43
XLogP3
3.7
Consensus LogP
3.67
Log S (ESOL)
-4.6
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.24
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.52
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.11

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5

Safety & Transport

Pictogram(s)
Environmental Hazard
Signal
Warning
GHS Hazard Statements
H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
Precautionary Statement Codes
P273, P391, and P501

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