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CAS 936648-38-3 N-BOC-7-BROMO-4-OXO-3,4-DIHYDRO-1”H-SPIRO[CHROMENE-2,4”-PIPERIDINE] molecular structure lightbox
CAS RN: 936648-38-3

N-BOC-7-BROMO-4-OXO-3,4-DIHYDRO-1”H-SPIRO[CHROMENE-2,4”-PIPERIDINE]

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250725 100mg / 250mg / 1g Out of stock 15 business days Inquiry
  • Product code: SSC-208023
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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: ≥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 936648-38-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 0 Out of Stock Shenzhen Inquiry

936648-38-3 / tert-butyl 7-bromo-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylate

Standard CAS: 936648-38-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
936648-38-3
Multi CAS
No
Molecular Formula
BC18H22O4Rn
Molecular Weight
396.300000
Exact Mass
395.073220
InChI
InChI=1S/C18H22BrNO4/c1-17(2,3)24-16(22)20-8-6-18(7-9-20)11-14(21)13-5-4-12(19)10-15(13)23-18/h4-5,10H,6-9,11H2,1-3H3
InChIKey
MNQOBNLVPNTHAT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
6
Fraction Csp3
0.56
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
93.49
TPSA
55.84

LogP / Solubility

WLOGP
4.18
MLOGP
3.71
XLogP3
3.3
Consensus LogP
3.73
Log S (ESOL)
-5.12
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.83
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.71
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.17

Drug-likeness / Medicinal Chemistry

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

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