CAS RN: 25784-83-2
(4-CHLOROPHENYLTHIO)ACETONE
Product Availability
Choose a grade to view its available package options.
3 package records3 with current stock1 grade group
- Product code: SSC-122303
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: 25g
- Available purity: ≥99%
- 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 |
|---|---|---|---|---|
| 25g | ≥99% | 0 Out of Stock | Shenzhen | Inquiry |
25784-83-2 / 1-(4-chlorophenyl)sulfanylpropan-2-one
Basic Information
CAS
25784-83-2
Multi CAS
No
Molecular Formula
C9H9ClOS
Molecular Weight
200.690000
Exact Mass
200.006264
SMILES
CC(=O)CSC1=CC=C(C=C1)Cl
InChI
InChI=1S/C9H9ClOS/c1-7(11)6-12-9-4-2-8(10)3-5-9/h2-5H,6H2,1H3
InChIKey
VIUDWXCHYJJHLD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
52.86
TPSA
17.07
LogP / Solubility
WLOGP
3.02
MLOGP
2.66
XLogP3
2.8
Consensus LogP
2.83
Log S (ESOL)
-3.16
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.39
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.83
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)
-1.8
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
![CAS 25785-09-5 5-NITRO-BENZO[B]THIOPHENE-2-CARBOXYLIC ACID ETHYL ESTER molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
5-NITRO-BENZO[B]THIOPHENE-2-CARBOXYLIC ACID ETHYL ESTER
- CAS RN: 25785-09-5
- Product Code: SSC-122306
-
-
5-AMINO-3-METHYL-ISOXAZOLE-4-CARBOXYLIC ACID ETHYL ESTER
- CAS RN: 25786-72-5
- Product Code: SSC-122308
-
ethyl 5-bromo-3-methylisoxazole-4-carboxylate
- CAS RN: 25786-74-7
- Product Code: SSC-122309
-
-
Z-D-PHE-ONP
- CAS RN: 2578-85-0
- Product Code: starshine_CAS2578-85-0
- Purity/Analytical method: >99.0%
![CAS 25785-09-5 5-NITRO-BENZO[B]THIOPHENE-2-CARBOXYLIC ACID ETHYL ESTER molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/25785-09-5.gif)
