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CAS 107021-38-5 5-Bromo-4-chloro-3-indolyl-alpha-D-galactopyranoside molecular structure lightbox
CAS RN: 107021-38-5

5-Bromo-4-chloro-3-indolyl-alpha-D-galactopyranoside

Product Availability

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5 package records3 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250818 100mg Out of stock Inquiry
Batchno.20250209 25mg Out of stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250227 100mg In stock Shanghai, Shandong, Hebei Inquiry
Batchno.20260620 25mg In stock Shanghai, Chongqing Inquiry
Batchno.20260604 500mg In stock Shanghai Inquiry
  • Product code: SSC-008491
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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: 0.1g
  • Available purity: >99%
  • 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 107021-38-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >99% 0 Out of Stock Shenzhen Inquiry

107021-38-5 / (2R,3R,4S,5R,6R)-2-[(5-bromo-4-chloro-1H-indol-3-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

X-Gal | 5-Bromo-4-chloro-3-indolyl beta-galactoside | V595OG374W

Standard CAS: 107021-38-5 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
107021-38-5
Multi CAS
Yes
Molecular Formula
C14H15BrClNO6
Molecular Weight
408.630000
Exact Mass
406.977130
SMILES
C1=CC(=C(C2=C1NC=C2O[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)Cl)Br
InChI
InChI=1S/C14H15BrClNO6/c15-5-1-2-6-9(10(5)16)7(3-17-6)22-14-13(21)12(20)11(19)8(4-18)23-14/h1-3,8,11-14,17-21H,4H2/t8-,11+,12+,13-,14+/m1/s1
InChIKey
OPIFSICVWOWJMJ-YGEXGZRRSA-N
Synonyms
X-Gal 5-Bromo-4-chloro-3-indolyl beta-galactoside V595OG374W 5-bromo-4-chloro-1H-indol-3-yl beta-D-galactopyranoside 5-bromo-4-chloroindol-3-yl beta-D-galactopyranoside

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
9
Fraction Csp3
0.43
Rotatable bonds
3
H-bond acceptors
6
H-bond donors
5
Molar refractivity
85.4
TPSA
115.17

LogP / Solubility

WLOGP
0.76
MLOGP
0.7
XLogP3
1.2
Consensus LogP
0.89
Log S (ESOL)
-2.95
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.46
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.31
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)
-4.67

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

GHS Hazard Statements
Not Classified Reported as not meeting GHS hazard criteria by 2 of 2 companies. For more detailed information, please visit ECHA C&L website.

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