CAS RN: 775-01-9
DL-3,4-Dihydroxymandelic Acid
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250718 | 10mg / 50mg / 250mg / 1g | Confirm by inquiry | Shanghai, Guangdong, Shandong | Inquiry |
- Product code: ICTD0582
- Purity/Analytical Methods: >98.0%(T)
775-01-9 / 2-(3,4-dihydroxyphenyl)-2-hydroxyacetic acid
Basic Information
CAS
775-01-9
Multi CAS
Yes
Molecular Formula
C8H8O5
Molecular Weight
184.150000
Exact Mass
184.037173
InChI
InChI=1S/C8H8O5/c9-5-2-1-4(3-6(5)10)7(11)8(12)13/h1-3,7,9-11H,(H,12,13)
InChIKey
RGHMISIYKIHAJW-UHFFFAOYSA-N
Physical Properties
Physical Description
Solid
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
4
Molar refractivity
42.37
TPSA
97.99
LogP / Solubility
WLOGP
0.22
MLOGP
0.19
XLogP3
-0.6
Consensus LogP
-0.06
Log S (ESOL)
-1.33
Class (ESOL)
Soluble
Log S (Ali)
-1.23
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.28
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
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)
-3.69
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2
