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CAS 170867-95-5 FMOC-2-PIPERIDYLMETHANOL molecular structure lightbox
CAS RN: 170867-95-5

FMOC-2-PIPERIDYLMETHANOL

  • Product code: SSC-075260
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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 170867-95-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Beijing Inquiry

170867-95-5 / 9H-fluoren-9-ylmethyl 2-(hydroxymethyl)piperidine-1-carboxylate

Standard CAS: 170867-95-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
170867-95-5
Multi CAS
No
Molecular Formula
C21H23NO3
Molecular Weight
337.400000
Exact Mass
337.167794
SMILES
C1CCN(C(C1)CO)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C21H23NO3/c23-13-15-7-5-6-12-22(15)21(24)25-14-20-18-10-3-1-8-16(18)17-9-2-4-11-19(17)20/h1-4,8-11,15,20,23H,5-7,12-14H2
InChIKey
ZBORKCVXTSTNRK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
25
Aromatic heavy atom count
12
Fraction Csp3
0.38
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
96.5
TPSA
49.77

LogP / Solubility

WLOGP
3.78
MLOGP
3.34
XLogP3
3.5
Consensus LogP
3.54
Log S (ESOL)
-4.47
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.06
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.35
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
No
Log Kp (skin permeation)
-2.09

Drug-likeness / Medicinal Chemistry

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

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