![CAS 7534-51-2 N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]acetamide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/7534-51-2.gif)
CAS RN: 7534-51-2
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]acetamide
- Product code: SSC-184800
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
- Available purity: >97%
- Inventory rows with stock: 3
- 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.
7534-51-2 / N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]acetamide
Basic Information
CAS
7534-51-2
Multi CAS
Yes
Molecular Formula
C6H13NO4
Molecular Weight
163.170000
Exact Mass
163.084458
InChI
InChI=1S/C6H13NO4/c1-5(11)7-6(2-8,3-9)4-10/h8-10H,2-4H2,1H3,(H,7,11)
InChIKey
JGAAIGKMNGHHHI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
0.83
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
4
Molar refractivity
37.81
TPSA
89.79
LogP / Solubility
WLOGP
-2.16
MLOGP
-1.91
XLogP3
-2.6
Consensus LogP
-2.22
Log S (ESOL)
0.77
Class (ESOL)
Highly soluble
Log S (Ali)
0.66
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.59
Class (SILICOS-IT)
Highly soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.25
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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