CAS RN: 68516-39-2
2,2-di(hydroxymethyl)-acetic acid
Product Availability
Available package options are listed below.
1 package records0 with current stock
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260207 | 200mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: LIND927102
68516-39-2 / 3-hydroxy-2-(hydroxymethyl)propanoic acid
Basic Information
CAS
68516-39-2
Multi CAS
No
Molecular Formula
C4H8O4
Molecular Weight
120.100000
Exact Mass
120.042259
InChI
InChI=1S/C4H8O4/c5-1-3(2-6)4(7)8/h3,5-6H,1-2H2,(H,7,8)
InChIKey
ULMZOZMSDIOZAF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
8
Fraction Csp3
0.75
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
3
Molar refractivity
25.3
TPSA
77.76
LogP / Solubility
WLOGP
-1.33
MLOGP
-1.18
XLogP3
-1.6
Consensus LogP
-1.37
Log S (ESOL)
0.45
Class (ESOL)
Highly soluble
Log S (Ali)
0.41
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.3
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)
-4.4
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
-
2,2-Dichloro-N-[(1R,2S)-3-fluoro-1-4-[(fluoromethyl)sulfonyl]phenyl-1-hydroxy-2-propanyl]acetamide
- CAS RN: 859520-15-3
- Product Code: LIND929945
-
2,2-Difluoro-benzo[1,3]dioxole-4-carbonyl bromide
- CAS RN: 668275-94-3
- Product Code: LIND888063
-
2,2-diMethyl-6-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)chroMan-4-one, 97%(HPLC)
- CAS RN: 1430472-51-7
- Product Code: LINM927180
-
-
![CAS 859520-15-3 2,2-Dichloro-N-[(1R,2S)-3-fluoro-1-4-[(fluoromethyl)sulfonyl]phenyl-1-hydroxy-2-propanyl]acetamide molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/859520-15-3.png)
![CAS 668275-94-3 2,2-Difluoro-benzo[1,3]dioxole-4-carbonyl bromide molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/668275-94-3.png)
