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CAS 3413-27-2 4-PHENOXYPIPERIDINE HYDROCHLORIDE molecular structure lightbox
CAS RN: 3413-27-2

4-PHENOXYPIPERIDINE HYDROCHLORIDE

  • Product code: SSC-140367
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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 3413-27-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Shanghai Inquiry

3413-27-2 / 4-phenoxypiperidine;hydrochloride

Standard CAS: 3413-27-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
3413-27-2
Multi CAS
Yes
Molecular Formula
C11H16CLNO
Molecular Weight
213.700000
Exact Mass
213.092042
InChI
InChI=1S/C11H15NO.ClH/c1-2-4-10(5-3-1)13-11-6-8-12-9-7-11;/h1-5,11-12H,6-9H2;1H
InChIKey
IRLPFTXZECHTDP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
60.21
TPSA
21.26

LogP / Solubility

WLOGP
2.24
MLOGP
1.97
XLogP3
2.24
Consensus LogP
2.15
Log S (ESOL)
-2.76
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.93
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.15
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.43

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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