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CAS 77264-89-2 1′-benzyl-3,4-dihydrospiro[1-benzopyran-2,4′-piperidine]-4-one molecular structure lightbox
CAS RN: 77264-89-2

1′-benzyl-3,4-dihydrospiro[1-benzopyran-2,4′-piperidine]-4-one

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260425 1g / 5g Out of stock 15 business days Inquiry
  • Product code: SSC-186737
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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 77264-89-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

77264-89-2 / 1'-benzylspiro[3H-chromene-2,4'-piperidine]-4-one

Standard CAS: 77264-89-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
77264-89-2
Multi CAS
No
Molecular Formula
C20H21NO2
Molecular Weight
307.400000
Exact Mass
307.157229
InChI
InChI=1S/C20H21NO2/c22-18-14-20(23-19-9-5-4-8-17(18)19)10-12-21(13-11-20)15-16-6-2-1-3-7-16/h1-9H,10-15H2
InChIKey
VYTXCPHULMDKCP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
12
Fraction Csp3
0.35
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
89.7
TPSA
29.54

LogP / Solubility

WLOGP
3.69
MLOGP
3.26
XLogP3
3.3
Consensus LogP
3.42
Log S (ESOL)
-4.32
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.74
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.96
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.98

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4

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