CAS RN: 21620-60-0
2,3-dihydroxy-2-methyl-propanoic acid
Product Availability
Choose a grade to view its available package options.
2 package records2 with current stock1 grade group
- Product code: starshine_CAS21620-60-0
- Purity/Analytical Methods: >99.0%
21620-60-0 / 2,3-dihydroxy-2-methylpropanoic acid
Basic Information
CAS
21620-60-0
Multi CAS
No
Molecular Formula
C4H8O4
Molecular Weight
120.100000
Exact Mass
120.042259
SMILES
CC(CO)(C(=O)O)O
InChI
InChI=1S/C4H8O4/c1-4(8,2-5)3(6)7/h5,8H,2H2,1H3,(H,6,7)
InChIKey
DGADNPLBVRLJGD-UHFFFAOYSA-N
Physical Properties
Physical Description
Solid
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
8
Fraction Csp3
0.75
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
3
Molar refractivity
25.35
TPSA
77.76
LogP / Solubility
WLOGP
-1.19
MLOGP
-1.05
XLogP3
-1.3
Consensus LogP
-1.18
Log S (ESOL)
0.29
Class (ESOL)
Highly soluble
Log S (Ali)
0.31
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)
-4.29
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
Customers Also Viewed
-
1,5-dimethyl-1H-indole-2-carboxylic acid(SALTDATA: FREE)
- CAS RN: 216210-59-2
- Product Code: SSC-103610
-
-
S-2-(1,1-diMethylethyl)-1-[(4-Methylphenyl)sulfonyl]-Aziridine
- CAS RN: 216220-08-5
- Product Code: starshine_CAS216220-08-5
- Purity/Analytical method: >99.0%
-
-
OC 144-093
- CAS RN: 216227-54-2
- Product Code: starshine_CAS216227-54-2
- Purity/Analytical method: >99.0%
-
![CAS 216220-08-5 S-2-(1,1-diMethylethyl)-1-[(4-Methylphenyl)sulfonyl]-Aziridine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/216220-08-5.gif)
