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CAS 7691-28-3 (S)-methyl-2-bromo-3-hydroxypropanoate molecular structure lightbox
CAS RN: 7691-28-3

(S)-methyl-2-bromo-3-hydroxypropanoate

  • Product code: SSC-186343
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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: 0.1g, 0.25g, 1g, 10g, 5g
  • Available purity: >95%
  • Inventory rows with stock: 4
  • 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 7691-28-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 1 In Stock Shanghai Inquiry
0.25g >95% 1 In Stock Shenzhen Inquiry
1g >95% 1 In Stock Shenzhen Inquiry
10g >95% 1 In Stock Shenzhen Inquiry
5g >95% 0 Out of Stock Shanghai Inquiry

7691-28-3 / methyl 2-bromo-3-hydroxypropanoate

Standard CAS: 7691-28-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
7691-28-3
Multi CAS
No
Molecular Formula
C4H7BRO3
Molecular Weight
183.000000
Exact Mass
181.957860
InChI
InChI=1S/C4H7BrO3/c1-8-4(7)3(5)2-6/h3,6H,2H2,1H3
InChIKey
GVXAFLUDYYQGCG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
0.75
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
31.82
TPSA
46.53

LogP / Solubility

WLOGP
-0.08
MLOGP
-0.08
XLogP3
0.3
Consensus LogP
0.05
Log S (ESOL)
-0.79
Class (ESOL)
Very soluble
Log S (Ali)
-1
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.02
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)
-3.9

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

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