CAS RN: 25779-13-9
(S)-(+)-1-Phenylethane-1,2-diol
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.20251229 | 250mg / 1g / 5g / 25g / 100g | Confirm by inquiry | Shandong, Shanghai | Inquiry |
- Product code: SSC-122293
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g, 5g, 10g, 25g
- Available purity: >97%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
25779-13-9 / 1-phenylethane-1,2-diol
Basic Information
CAS
25779-13-9
Multi CAS
No
Molecular Formula
C8H10O2
Molecular Weight
138.160000
Exact Mass
138.068080
SMILES
C1=CC=C(C=C1)C(CO)O
InChI
InChI=1S/C8H10O2/c9-6-8(10)7-4-2-1-3-5-7/h1-5,8-10H,6H2
InChIKey
PWMWNFMRSKOCEY-UHFFFAOYSA-N
Physical Properties
Physical Description
Solid; [Merck Index] Nearly white crystalline powder
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
38.49
TPSA
40.46
LogP / Solubility
WLOGP
0.71
MLOGP
0.62
XLogP3
0.4
Consensus LogP
0.58
Log S (ESOL)
-1.46
Class (ESOL)
Soluble
Log S (Ali)
-1.21
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.39
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.06
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
