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CAS 215190-19-5 FMOC-4-PHENYL-PIPERIDINE-4-CARBOXYLIC ACID molecular structure lightbox
CAS RN: 215190-19-5

FMOC-4-PHENYL-PIPERIDINE-4-CARBOXYLIC ACID

  • Product code: SSC-103127
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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: 10g
  • 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 215190-19-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g ≥95% 0 Out of Stock Shanghai Inquiry

215190-19-5 / 1-(9H-fluoren-9-ylmethoxycarbonyl)-4-phenylpiperidine-4-carboxylic acid

Standard CAS: 215190-19-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
215190-19-5
Multi CAS
No
Molecular Formula
C27H25NO4
Molecular Weight
427.500000
Exact Mass
427.178358
SMILES
C1CN(CCC1(C2=CC=CC=C2)C(=O)O)C(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35
InChI
InChI=1S/C27H25NO4/c29-25(30)27(19-8-2-1-3-9-19)14-16-28(17-15-27)26(31)32-18-24-22-12-6-4-10-20(22)21-11-5-7-13-23(21)24/h1-13,24H,14-18H2,(H,29,30)
InChIKey
JWEBOBGECOQGTL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
32
Aromatic heavy atom count
18
Fraction Csp3
0.26
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
1
Molar refractivity
121.63
TPSA
66.84

LogP / Solubility

WLOGP
5.05
MLOGP
4.47
XLogP3
4.7
Consensus LogP
4.74
Log S (ESOL)
-5.83
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.71
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.11
Class (SILICOS-IT)
Insoluble

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)
-1.74

Drug-likeness / Medicinal Chemistry

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

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