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, 0.25g, 25g, 1g, 10g
- Available purity: >98%
- Inventory rows with stock: 4
- 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% | 5 In Stock | Shanghai | Inquiry |
| 0.25g | >98% | 2 In Stock | Beijing | Inquiry |
| 25g | >98% | 2 In Stock | Shanghai | Inquiry |
| 1g | >98% | 1 In Stock | Shenzhen | Inquiry |
| 10g | >98% | 0 Out of Stock | Hong Kong | Inquiry |
61563-28-8 / 2-chloro-3-methylbenzaldehyde
Basic Information
CAS
61563-28-8
Multi CAS
No
Molecular Formula
C8H7CLO
Molecular Weight
154.590000
Exact Mass
154.018543
InChI
InChI=1S/C8H7ClO/c1-6-3-2-4-7(5-10)8(6)9/h2-5H,1H3
InChIKey
LGOLMLQWRYFRHP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
41.58
TPSA
17.07
LogP / Solubility
WLOGP
2.46
MLOGP
2.16
XLogP3
2.4
Consensus LogP
2.34
Log S (ESOL)
-2.73
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.6
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.83
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)
-1.92
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
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- Product Code: SSC-170503
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![CAS 61564-98-5 5,6-DIHYDRO-[1,4]DIOXINE-2-CARBOXYLIC ACID molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/61564-98-5.gif)
