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CAS 96-21-9 1,3-Dibromo-2-propanol (stabilized with Copper chip) molecular structure lightbox
CAS RN: 96-21-9

1,3-Dibromo-2-propanol (stabilized with Copper chip)

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250403 1g / 5g / 25g / 100g Confirm by inquiry Shanghai, Shandong, Guangdong, Hebei Inquiry
  • Product code: SSC-211777
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 1g, 5g, 10g, 25g, 100g
  • Available purity: >98%
  • Inventory rows with stock: 5
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 96-21-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >98% 5 In Stock Shenzhen Inquiry
5g >98% 5 In Stock Shanghai Inquiry
10g >98% 5 In Stock Shanghai Inquiry
25g >98% 5 In Stock Hong Kong Inquiry
100g >98% 5 In Stock Hong Kong Inquiry

96-21-9 / 1,3-dibromopropan-2-ol

Standard CAS: 96-21-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
96-21-9
Multi CAS
Yes
Molecular Formula
C3H6BR2O
Molecular Weight
217.890000
Exact Mass
217.876490
InChI
InChI=1S/C3H6Br2O/c4-1-3(6)2-5/h3,6H,1-2H2
InChIKey
KIHQZLPHVZKELA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
6
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
33.59
TPSA
20.23

LogP / Solubility

WLOGP
1.14
MLOGP
1
XLogP3
1.1
Consensus LogP
1.08
Log S (ESOL)
-1.78
Class (ESOL)
Soluble
Log S (Ali)
-2.17
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.26
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)
-3.24

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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