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, 5g, 10g, 25g, 100g
- Available purity: ≥95%
- Inventory rows with stock: 7
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.1g | ≥95% | 5 In Stock | Hong Kong | Inquiry |
| 0.25g | ≥95% | 5 In Stock | Shenzhen | Inquiry |
| 1g | ≥95% | 5 In Stock | Hong Kong | Inquiry |
| 5g | ≥95% | 5 In Stock | Shenzhen | Inquiry |
| 10g | ≥95% | 5 In Stock | Hong Kong | Inquiry |
| 25g | ≥95% | 5 In Stock | Hong Kong | Inquiry |
| 100g | ≥95% | 5 In Stock | Beijing | Inquiry |
162464-06-4 / methyl (2S)-2-bromo-3-hydroxypropanoate
Basic Information
CAS
162464-06-4
Multi CAS
No
Molecular Formula
C4H7BrO3
Molecular Weight
183.000000
Exact Mass
181.957860
SMILES
COC(=O)[C@H](CO)Br
InChI
InChI=1S/C4H7BrO3/c1-8-4(7)3(5)2-6/h3,6H,2H2,1H3/t3-/m0/s1
InChIKey
GVXAFLUDYYQGCG-VKHMYHEASA-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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