CAS RN: 174186-83-5
1-(7-amino-2-methyl-1-benzofuran-3-yl)ethanone
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251225 | 100mg / 250mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS174186-83-5
- Purity/Analytical Methods: >99.0%
174186-83-5 / 1-(7-amino-2-methyl-1-benzofuran-3-yl)ethanone
Basic Information
CAS
174186-83-5
Multi CAS
No
Molecular Formula
C11H11NO2
Molecular Weight
189.210000
Exact Mass
189.078979
SMILES
CC1=C(C2=C(O1)C(=CC=C2)N)C(=O)C
InChI
InChI=1S/C11H11NO2/c1-6(13)10-7(2)14-11-8(10)4-3-5-9(11)12/h3-5H,12H2,1-2H3
InChIKey
XBLZTPCIFSJUOL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
9
Fraction Csp3
0.18
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
55.37
TPSA
56.23
LogP / Solubility
WLOGP
2.53
MLOGP
2.22
XLogP3
1.7
Consensus LogP
2.15
Log S (ESOL)
-3.01
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.94
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.11
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.08
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
-
3-Chloro-4-hydroxypiperidin-2-one
- CAS RN: 174204-83-2
- Product Code: starshine_CAS174204-83-2
- Purity/Analytical method: >99.0%
-
T-BUTYLAMINOPROPYLTRIMETHOXYSILANE
- CAS RN: 174219-86-4
- Product Code: starshine_CAS174219-86-4
- Purity/Analytical method: >99.0%
-
-
(R)-2-(dimethylamino)-3-phenylpropanoic acid
- CAS RN: 174222-78-7
- Product Code: starshine_CAS174222-78-7
- Purity/Analytical method: >99.0%
-
