CAS RN: 25743-67-3
erythro-1-(4-Hydroxyphenyl)propane-1,2,3-triol
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250829 | 5mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS25743-67-3
- Purity/Analytical Methods: >99.0%
25743-67-3 / (1S,2R)-1-(4-hydroxyphenyl)propane-1,2,3-triol
Basic Information
CAS
25743-67-3
Multi CAS
No
Molecular Formula
C9H12O4
Molecular Weight
184.190000
Exact Mass
184.073559
SMILES
C1=CC(=CC=C1[C@@H]([C@@H](CO)O)O)O
InChI
InChI=1S/C9H12O4/c10-5-8(12)9(13)6-1-3-7(11)4-2-6/h1-4,8-13H,5H2/t8-,9+/m1/s1
InChIKey
DGMSJCVOBYTYTE-BDAKNGLRSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
4
Molar refractivity
46.16
TPSA
80.92
LogP / Solubility
WLOGP
-0.22
MLOGP
-0.2
XLogP3
-0.6
Consensus LogP
-0.34
Log S (ESOL)
-0.99
Class (ESOL)
Very soluble
Log S (Ali)
-0.91
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.03
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)
-4
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
![CAS 2574-42-7 {bicyclo[2.2.2]octan-1-yl}methanol molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2574-42-7.gif)
