CAS RN: 123119-89-1
3-(9H-Carbazol-4-yloxy)-1,2-propanediol
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260109 | 1mg / 5mg / 10mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS123119-89-1
- Purity/Analytical Methods: >99.0%
123119-89-1 / 3-(9H-carbazol-4-yloxy)propane-1,2-diol
Basic Information
CAS
123119-89-1
Multi CAS
No
Molecular Formula
C15H15NO3
Molecular Weight
257.280000
Exact Mass
257.105193
SMILES
C1=CC=C2C(=C1)C3=C(N2)C=CC=C3OCC(CO)O
InChI
InChI=1S/C15H15NO3/c17-8-10(18)9-19-14-7-3-6-13-15(14)11-4-1-2-5-12(11)16-13/h1-7,10,16-18H,8-9H2
InChIKey
PHIWDZXZVQVXLT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
13
Fraction Csp3
0.2
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
3
Molar refractivity
74.39
TPSA
65.48
LogP / Solubility
WLOGP
2.05
MLOGP
1.81
XLogP3
2.5
Consensus LogP
2.12
Log S (ESOL)
-2.97
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.15
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.52
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.83
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2
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