Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 5g, 1g, 10g, 25g, 100g
- Available purity: ≥98%
- Inventory rows with stock: 5
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 5g | ≥98% | 3 In Stock | Hong Kong | Inquiry |
| 1g | ≥98% | 2 In Stock | Shenzhen | Inquiry |
| 10g | ≥98% | 2 In Stock | Hong Kong | Inquiry |
| 25g | ≥98% | 2 In Stock | Hong Kong | Inquiry |
| 100g | ≥98% | 1 In Stock | Beijing | Inquiry |
403-14-5 / 1-(3-fluoro-4-hydroxyphenyl)ethanone
Basic Information
CAS
403-14-5
Multi CAS
No
Molecular Formula
C8FH7O2
Molecular Weight
154.140000
Exact Mass
154.043008
InChI
InChI=1S/C8H7FO2/c1-5(10)6-2-3-8(11)7(9)4-6/h2-4,11H,1H3
InChIKey
GSWTXZXGONEVJC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
38.07
TPSA
37.3
LogP / Solubility
WLOGP
1.73
MLOGP
1.52
XLogP3
1.4
Consensus LogP
1.55
Log S (ESOL)
-2.23
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.08
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.22
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)
-2.43
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 RN: 59938-06-6
- Product Code: SSC-168508
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