CAS RN: 24765-56-8
2-ETHYL-2-PHENYL-1,3-PROPANEDIOL
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.20250206 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS24765-56-8
- Purity/Analytical Methods: >99.0%
24765-56-8 / 2-ethyl-2-phenylpropane-1,3-diol
Basic Information
CAS
24765-56-8
Multi CAS
No
Molecular Formula
C11H16O2
Molecular Weight
180.240000
Exact Mass
180.115030
SMILES
CCC(CO)(CO)C1=CC=CC=C1
InChI
InChI=1S/C11H16O2/c1-2-11(8-12,9-13)10-6-4-3-5-7-10/h3-7,12-13H,2,8-9H2,1H3
InChIKey
WEXYBIYJFKLLHT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
2
Molar refractivity
52.58
TPSA
40.46
LogP / Solubility
WLOGP
1.32
MLOGP
1.16
XLogP3
1.5
Consensus LogP
1.33
Log S (ESOL)
-1.87
Class (ESOL)
Soluble
Log S (Ali)
-1.99
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.41
Class (SILICOS-IT)
Moderately 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)
-2.88
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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