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CAS 892871-64-6 4-Benzyl-2-(Iodomethyl)-2,6,6-Trimethylmorpholine molecular structure lightbox
CAS RN: 892871-64-6

4-Benzyl-2-(Iodomethyl)-2,6,6-Trimethylmorpholine

  • Product code: SSC-201199
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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 892871-64-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

892871-64-6 / 4-benzyl-2-(iodomethyl)-2,6,6-trimethylmorpholine

Standard CAS: 892871-64-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
892871-64-6
Multi CAS
No
Molecular Formula
C15H22InO
Molecular Weight
359.250000
Exact Mass
359.074610
InChI
InChI=1S/C15H22INO/c1-14(2)11-17(12-15(3,10-16)18-14)9-13-7-5-4-6-8-13/h4-8H,9-12H2,1-3H3
InChIKey
FVWQSXIXMQLULE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.6
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
84.18
TPSA
12.47

LogP / Solubility

WLOGP
3.49
MLOGP
3.09
XLogP3
3.4
Consensus LogP
3.33
Log S (ESOL)
-4.32
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.03
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.25
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
Yes
Log Kp (skin permeation)
-2.43

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2

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