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CAS 1363166-15-7 3-fluoro-1,3-Piperidinedicarboxylic acid 3-methyl 1-(phenylmethyl) ester molecular structure lightbox
CAS RN: 1363166-15-7

3-fluoro-1,3-Piperidinedicarboxylic acid 3-methyl 1-(phenylmethyl) ester

  • Product code: SSC-045229
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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 1363166-15-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Hong Kong Inquiry

1363166-15-7 / 1-O-benzyl 3-O-methyl 3-fluoropiperidine-1,3-dicarboxylate

Standard CAS: 1363166-15-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1363166-15-7
Multi CAS
No
Molecular Formula
C15H18FNO4
Molecular Weight
295.310000
Exact Mass
295.121986
SMILES
COC(=O)C1(CCCN(C1)C(=O)OCC2=CC=CC=C2)F
InChI
InChI=1S/C15H18FNO4/c1-20-13(18)15(16)8-5-9-17(11-15)14(19)21-10-12-6-3-2-4-7-12/h2-4,6-7H,5,8-11H2,1H3
InChIKey
GVOKTURUCNJPAA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
6
Fraction Csp3
0.47
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
73.29
TPSA
55.84

LogP / Solubility

WLOGP
2.3
MLOGP
2.04
XLogP3
2.2
Consensus LogP
2.18
Log S (ESOL)
-3.13
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.64
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.85
Class (SILICOS-IT)
Poorly 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)
-2.89

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3

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