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CAS 5609-91-6 5-BROMO-4-CHLORO-3-INDOLYL-N-ACETYL-BETA-D-GLUCOSAMINIDE molecular structure lightbox
CAS RN: 5609-91-6

5-BROMO-4-CHLORO-3-INDOLYL-N-ACETYL-BETA-D-GLUCOSAMINIDE

Product Availability

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5 package records1 with current stock2 grade groups
Batch No.PackageAvailabilityInquiry
Batchno.20250919 100mg Out of stock Inquiry
Batchno.20260203 25mg In stock Inquiry
Batch No.PackageAvailabilityInquiry
Batchno.20250301 100mg Out of stock Inquiry
Batchno.20251001 10mg Out of stock Inquiry
Batchno.20250921 25mg Out of stock Inquiry
  • Product code: SSC-164049
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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 5609-91-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

5609-91-6 / N-[(2S,3R,4R,5S,6R)-2-[(5-bromo-6-chloro-1H-indol-3-yl)oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide

Standard CAS: 5609-91-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
5609-91-6
Multi CAS
Yes
Molecular Formula
C16H18BRCLN2O6
Molecular Weight
449.700000
Exact Mass
448.003680
InChI
InChI=1S/C16H18BrClN2O6/c1-6(22)20-13-15(24)14(23)12(5-21)26-16(13)25-11-4-19-10-3-9(18)8(17)2-7(10)11/h2-4,12-16,19,21,23-24H,5H2,1H3,(H,20,22)/t12-,13-,14-,15-,16-/m1/s1
InChIKey
GJFJDKFSKAEJGX-OXGONZEZSA-N

Computed Properties

Structural Parameters

Heavy atom count
26
Aromatic heavy atom count
9
Fraction Csp3
0.44
Rotatable bonds
4
H-bond acceptors
6
H-bond donors
5
Molar refractivity
97
TPSA
124.04

LogP / Solubility

WLOGP
0.91
MLOGP
0.83
XLogP3
1.2
Consensus LogP
0.98
Log S (ESOL)
-3.19
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.9
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.82
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.82

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
5

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