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CAS 1923052-18-9 5-Bromo-2H-spiro[benzofuran-3,4′-piperidine] hydrochloride molecular structure lightbox
CAS RN: 1923052-18-9

5-Bromo-2H-spiro[benzofuran-3,4′-piperidine] hydrochloride

  • Product code: SSC-089991
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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: 1g
  • 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 1923052-18-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1923052-18-9 / 5-bromospiro[2H-1-benzofuran-3,4'-piperidine];hydrochloride

Standard CAS: 1923052-18-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1923052-18-9
Multi CAS
No
Molecular Formula
C12H15BrClNO
Molecular Weight
304.610000
Exact Mass
303.002550
SMILES
C1CNCCC12COC3=C2C=C(C=C3)Br.Cl
InChI
InChI=1S/C12H14BrNO.ClH/c13-9-1-2-11-10(7-9)12(8-15-11)3-5-14-6-4-12;/h1-2,7,14H,3-6,8H2;1H
InChIKey
VENPYWDQLRBJRN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.5
H-bond acceptors
2
H-bond donors
1
Molar refractivity
70.67
TPSA
21.26

LogP / Solubility

WLOGP
2.88
MLOGP
2.55
XLogP3
2.88
Consensus LogP
2.77
Log S (ESOL)
-3.82
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.14
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.03
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.53

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5

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