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CAS 889676-35-1 4-(5-BROMOPYRIDIN-3-YLSULPHONYL)MORPHOLINE 95 molecular structure lightbox
CAS RN: 889676-35-1

4-(5-BROMOPYRIDIN-3-YLSULPHONYL)MORPHOLINE 95

  • Product code: SSC-200682
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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 889676-35-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

889676-35-1 / 4-[(5-bromo-3-pyridinyl)sulfonyl]morpholine

Standard CAS: 889676-35-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
889676-35-1
Multi CAS
No
Molecular Formula
BC9H11O3Rn2S
Molecular Weight
307.170000
Exact Mass
305.967380
InChI
InChI=1S/C9H11BrN2O3S/c10-8-5-9(7-11-6-8)16(13,14)12-1-3-15-4-2-12/h5-7H,1-4H2
InChIKey
GIMCCYOGOYDJFI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.44
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
61.51
TPSA
59.5

LogP / Solubility

WLOGP
0.86
MLOGP
0.77
XLogP3
0.3
Consensus LogP
0.64
Log S (ESOL)
-2.43
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.7
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.61
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.98

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5

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