![CAS 851288-79-4 2-CHLORO-1-[1-(METHYLSULFONYL)-2,3-DIHYDRO-1H-INDOL-5-YL]ETHANONE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB2421821.gif)
CAS RN: 851288-79-4
2-CHLORO-1-[1-(METHYLSULFONYL)-2,3-DIHYDRO-1H-INDOL-5-YL]ETHANONE
- Product code: SSC-193250
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: 0.25g
- Available purity: ≥95%
- 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 |
|---|---|---|---|---|
| 0.25g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
851288-79-4 / 2-chloro-1-(1-methylsulfonyl-2,3-dihydroindol-5-yl)ethanone
Basic Information
CAS
851288-79-4
Multi CAS
No
Molecular Formula
C11H12CLNO3S
Molecular Weight
273.740000
Exact Mass
273.022642
InChI
InChI=1S/C11H12ClNO3S/c1-17(15,16)13-5-4-8-6-9(11(14)7-12)2-3-10(8)13/h2-3,6H,4-5,7H2,1H3
InChIKey
AWJIBLWYVHZNLS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
67.39
TPSA
54.45
LogP / Solubility
WLOGP
1.43
MLOGP
1.27
XLogP3
1.4
Consensus LogP
1.37
Log S (ESOL)
-2.5
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.84
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.99
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.37
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
Customers Also Viewed
-
![CAS 851288-86-3 2-CHLORO-N-[3-(2-METHYL-1,3-THIAZOL-4-YL)PHENYL]ACETAMIDE molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
2-CHLORO-N-[3-(2-METHYL-1,3-THIAZOL-4-YL)PHENYL]ACETAMIDE
- CAS RN: 851288-86-3
- Product Code: SSC-193251
-
1-(4-PYRIDYL)-HOMOPIPERAZINE DIHYDROCHLORIDE
- CAS RN: 851292-41-6
- Product Code: SSC-193252
-
-
2-((tert-Butoxycarbonyl)amino)-3-(quinolin-4-yl)propanoic acid
- CAS RN: 851307-45-4
- Product Code: starshine_CAS851307-45-4
- Purity/Analytical method: >99.0%
-
[1-(Methylsulfonyl)piperidin-4-yl]methanamine hydrochloride
- CAS RN: 851308-25-3
- Product Code: SSC-193254
-
(R)-1-{(S)-2-[DI(1-NAPHTHYL)PHOSPHINO]FERROCENYL}ETHYLDI(3,5-XYLYL)PHOSPHINE
- CAS RN: 851308-40-2
- Product Code: SSC-193255
![CAS 851288-86-3 2-CHLORO-N-[3-(2-METHYL-1,3-THIAZOL-4-YL)PHENYL]ACETAMIDE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB8479758.gif)
![CAS 851308-25-3 [1-(Methylsulfonyl)piperidin-4-yl]methanamine hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/851308-25-3.gif)
![CAS 851308-40-2 (R)-1-{(S)-2-[DI(1-NAPHTHYL)PHOSPHINO]FERROCENYL}ETHYLDI(3,5-XYLYL)PHOSPHINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/851308-40-2.gif)