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: 1g, 5g, 10g, 25g
- Available purity: >96%
- Inventory rows with stock: 6
- 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 |
|---|---|---|---|---|
| 1g | -- | 1 In Stock | Beijing | Inquiry |
| 1g | >96% | 1 In Stock | Hong Kong | Inquiry |
| 5g | -- | 1 In Stock | Beijing | Inquiry |
| 5g | >96% | 1 In Stock | Beijing | Inquiry |
| 10g | -- | 1 In Stock | Hong Kong | Inquiry |
| 10g | >96% | 1 In Stock | Shenzhen | Inquiry |
| 25g | -- | 0 Out of Stock | Beijing | Inquiry |
| 25g | >96% | 0 Out of Stock | Beijing | Inquiry |
1806-23-1 / (2-chlorophenyl)-(4-fluorophenyl)methanone
Basic Information
CAS
1806-23-1
Multi CAS
No
Molecular Formula
C13H8ClFO
Molecular Weight
234.650000
Exact Mass
234.024771
SMILES
C1=CC=C(C(=C1)C(=O)C2=CC=C(C=C2)F)Cl
InChI
InChI=1S/C13H8ClFO/c14-12-4-2-1-3-11(12)13(16)9-5-7-10(15)8-6-9/h1-8H
InChIKey
DODIKYQYCCFWRZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
12
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
61.28
TPSA
17.07
LogP / Solubility
WLOGP
3.71
MLOGP
3.27
XLogP3
3.8
Consensus LogP
3.59
Log S (ESOL)
-4.06
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.16
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.5
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.52
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Safety & Transport
Pictogram(s)
Health Hazard
Signal
Warning
GHS Hazard Statements
H341 (100%): Suspected of causing genetic defects [Warning Germ cell mutagenicity]
Precautionary Statement Codes
P203, P280, P318, P405, and P501
