![CAS 29122-69-8 2-[4-(2,3-EPOXYPROPOXY)PHENYL]ACETAMIDE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/29122-69-8.gif)
CAS RN: 29122-69-8
2-[4-(2,3-EPOXYPROPOXY)PHENYL]ACETAMIDE
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.20251123 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS29122-69-8
- Purity/Analytical Methods: >99.0%
29122-69-8 / 2-[4-(oxiran-2-ylmethoxy)phenyl]acetamide
Basic Information
CAS
29122-69-8
Multi CAS
Yes
Molecular Formula
C11H13NO3
Molecular Weight
207.230000
Exact Mass
207.089543
InChI
InChI=1S/C11H13NO3/c12-11(13)5-8-1-3-9(4-2-8)14-6-10-7-15-10/h1-4,10H,5-7H2,(H2,12,13)
InChIKey
SOGKXLVYZZXFTN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
1
Molar refractivity
54.58
TPSA
64.85
LogP / Solubility
WLOGP
0.49
MLOGP
0.43
XLogP3
0.4
Consensus LogP
0.44
Log S (ESOL)
-1.4
Class (ESOL)
Soluble
Log S (Ali)
-1.61
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.02
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)
-3.63
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2
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