Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 0.25g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.25g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
1090910-56-7 / 2-(3-fluoro-4-methoxyphenyl)acetamide
2-(3-fluoro-4-methoxyphenyl)acetamide | SCHEMBL4257109 | QTB91056
Basic Information
CAS
1090910-56-7
Multi CAS
No
Molecular Formula
C9H10FNO2
Molecular Weight
183.180000
Exact Mass
183.069557
SMILES
COC1=C(C=C(C=C1)CC(=O)N)F
InChI
InChI=1S/C9H10FNO2/c1-13-8-3-2-6(4-7(8)10)5-9(11)12/h2-4H,5H2,1H3,(H2,11,12)
InChIKey
DGWHYCIOECGKKS-UHFFFAOYSA-N
Synonyms
2-(3-fluoro-4-methoxyphenyl)acetamide
SCHEMBL4257109
QTB91056
MFCD11643538
AKOS009024769
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
45.85
TPSA
52.32
LogP / Solubility
WLOGP
0.86
MLOGP
0.76
XLogP3
0.4
Consensus LogP
0.67
Log S (ESOL)
-1.66
Class (ESOL)
Soluble
Log S (Ali)
-1.68
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.93
Class (SILICOS-IT)
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)
-3.23
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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![CAS 1091606-66-4 (4S,5R)-3,3a,8,8a-Tetrahydroindeno[1,2-d]-1,2,3-oxathiazole-2,2-dioxide-3-carboxylic acid t-butyl ester, min. 97% molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1091606-66-4.gif)
