![CAS 68385-79-5 N-[3-amino-4-(2-methoxyethoxy)phenyl]acetamide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/68385-79-5.gif)
CAS RN: 68385-79-5
N-[3-amino-4-(2-methoxyethoxy)phenyl]acetamide
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260527 | 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS68385-79-5
- Purity/Analytical Methods: >99.0%
68385-79-5 / N-[3-amino-4-(2-methoxyethoxy)phenyl]acetamide
Basic Information
CAS
68385-79-5
Multi CAS
Yes
Molecular Formula
C11H16N2O3
Molecular Weight
224.260000
Exact Mass
224.116092
InChI
InChI=1S/C11H16N2O3/c1-8(14)13-9-3-4-11(10(12)7-9)16-6-5-15-2/h3-4,7H,5-6,12H2,1-2H3,(H,13,14)
InChIKey
HSOJAZLHMOYNJP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
5
H-bond acceptors
4
H-bond donors
2
Molar refractivity
62.53
TPSA
73.58
LogP / Solubility
WLOGP
1.25
MLOGP
1.11
XLogP3
0.2
Consensus LogP
0.85
Log S (ESOL)
-1.97
Class (ESOL)
Soluble
Log S (Ali)
-2.3
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.76
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)
-3.2
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
1.5
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