CAS RN: 594815-00-6
1-(2,5-dichloropyridin-3-yl)ethanone
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250812 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-167904
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: 0.1g, 0.25g, 1g, 5g, 10g, 25g
- 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 |
|---|---|---|---|---|
| 0.1g | >98% | 1 In Stock | Shanghai | Inquiry |
| 0.25g | >98% | 1 In Stock | Shanghai | Inquiry |
| 1g | >98% | 1 In Stock | Shanghai | Inquiry |
| 5g | >98% | 1 In Stock | Shenzhen | Inquiry |
| 10g | >98% | 1 In Stock | Hong Kong | Inquiry |
| 25g | >98% | 0 Out of Stock | Shanghai | Inquiry |
594815-00-6 / 1-(2,5-dichloro-3-pyridinyl)ethanone
Basic Information
CAS
594815-00-6
Multi CAS
No
Molecular Formula
C7H5CL2NO
Molecular Weight
190.020000
Exact Mass
188.974819
InChI
InChI=1S/C7H5Cl2NO/c1-4(11)6-2-5(8)3-10-7(6)9/h2-3H,1H3
InChIKey
GIKHEKSYQNRJRD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
44.26
TPSA
29.96
LogP / Solubility
WLOGP
2.59
MLOGP
2.28
XLogP3
2.2
Consensus LogP
2.36
Log S (ESOL)
-2.99
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.99
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.17
Class (SILICOS-IT)
Poorly 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)
-2.04
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
-
1-(1-PYRIDIN-2-YLMETHYL-PIPERIDIN-4-YL)-1H-INDOLE
- CAS RN: 594827-31-3
- Product Code: starshine_CAS594827-31-3
- Purity/Analytical method: >99.0%
-
-
5-Chlorosulfonyl-nicotinic acid methyl ester
- CAS RN: 594839-14-2
- Product Code: starshine_CAS594839-14-2
- Purity/Analytical method: >99.0%
-
2-(3,5-Dichlorophenyl)-6-benzoxazole carboxylic acid
- CAS RN: 594839-88-0
- Product Code: SSC-167943
-
-
1,2-dimethylcyclopropanecarboxylic acid(WXC08870)
- CAS RN: 594846-52-3
- Product Code: SSC-167947
![CAS 594839-90-4 2-PHENYLBENZO[D]OXAZOLE-6-CARBOXYLIC ACID molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/594839-90-4.gif)
