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CAS 921760-46-5 6-BroMospiro[chroMan-2,4′-piperidin]-4-one hydrochloride molecular structure lightbox
CAS RN: 921760-46-5

6-BroMospiro[chroMan-2,4′-piperidin]-4-one hydrochloride

  • Product code: SSC-205742
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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: 0.1g, 0.25g, 1g, 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 921760-46-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Hong Kong Inquiry
0.25g ≥95% 0 Out of Stock Hong Kong Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry
5g ≥95% 0 Out of Stock Beijing Inquiry

921760-46-5 / 6-bromospiro[3H-chromene-2,4'-piperidine]-4-one;hydrochloride

Standard CAS: 921760-46-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
921760-46-5
Multi CAS
No
Molecular Formula
C13H15BRCLNO2
Molecular Weight
332.620000
Exact Mass
330.997470
InChI
InChI=1S/C13H14BrNO2.ClH/c14-9-1-2-12-10(7-9)11(16)8-13(17-12)3-5-15-6-4-13;/h1-2,7,15H,3-6,8H2;1H
InChIKey
ITHQWBXTVUNUDX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.46
H-bond acceptors
3
H-bond donors
1
Molar refractivity
75.8
TPSA
38.33

LogP / Solubility

WLOGP
2.96
MLOGP
2.62
XLogP3
2.96
Consensus LogP
2.85
Log S (ESOL)
-4.01
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.42
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.28
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)
-2.65

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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