CAS RN: 83345-11-3
CHEMBRDG-BB 5529572
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.20260107 | 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS83345-11-3
- Purity/Analytical Methods: >99.0%
83345-11-3 / N-[4-(2-hydroxyethyl)phenyl]acetamide
Basic Information
CAS
83345-11-3
Multi CAS
No
Molecular Formula
C10H13NO2
Molecular Weight
179.220000
Exact Mass
179.094629
InChI
InChI=1S/C10H13NO2/c1-8(13)11-10-4-2-9(3-5-10)6-7-12/h2-5,12H,6-7H2,1H3,(H,11,13)
InChIKey
VYEJXTZQKRHBHH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
2
Molar refractivity
51.54
TPSA
49.33
LogP / Solubility
WLOGP
1.18
MLOGP
1.04
XLogP3
1
Consensus LogP
1.07
Log S (ESOL)
-1.84
Class (ESOL)
Soluble
Log S (Ali)
-1.88
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.16
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)
-2.98
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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