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CAS 106089-20-7 (2S)-3-Bromo-2-hydroxy-2-methylpropanoic acid molecular structure lightbox
CAS RN: 106089-20-7

(2S)-3-Bromo-2-hydroxy-2-methylpropanoic acid

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250612 250mg / 1g / 5g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-007919
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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 106089-20-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

106089-20-7 / 3-bromo-2-hydroxy-2-methylpropanoic acid

(S)-3-Bromo-2-hydroxy-2-methylpropanoic Acid | (2S)-3-BROMO-2-HYDROXY-2-METHYLPROPANOIC ACID | MFCD09750950

Standard CAS: 106089-20-7 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
106089-20-7
Multi CAS
Yes
Molecular Formula
C4H7BrO3
Molecular Weight
183.000000
Exact Mass
181.957860
SMILES
CC(CBr)(C(=O)O)O
InChI
InChI=1S/C4H7BrO3/c1-4(8,2-5)3(6)7/h8H,2H2,1H3,(H,6,7)/t4-/m1/s1
InChIKey
HBJAYXGUOOININ-SCSAIBSYSA-N
Synonyms
(S)-3-Bromo-2-hydroxy-2-methylpropanoic Acid (2S)-3-BROMO-2-HYDROXY-2-METHYLPROPANOIC ACID MFCD09750950 (+)-(2R)-3-Bromo-2-hydroxy-2-methylpropanoic Acid; (2R)-3-Bromo-2-hydroxy-2-methylpropanoic Acid (2S)-3-Bromo-2-hydroxy-2-methyl-propanoic acid

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
0.75
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
32.05
TPSA
57.53

LogP / Solubility

WLOGP
0.22
MLOGP
0.19
XLogP3
0.1
Consensus LogP
0.17
Log S (ESOL)
-0.98
Class (ESOL)
Very soluble
Log S (Ali)
-1.22
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.27
Class (SILICOS-IT)
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)
-3.68

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
2

Safety & Transport

Pictogram(s)
Corrosive
Signal
Danger
GHS Hazard Statements
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement Codes
P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501

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