CAS RN: 552332-19-1
5-Bromo-3,3-difluoro-1,3-dihydro-indol-2-one
- Product code: SSC-163090
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
- Available purity: >97%
- 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.
552332-19-1 / 5-bromo-3,3-difluoro-1H-indol-2-one
Basic Information
CAS
552332-19-1
Multi CAS
No
Molecular Formula
BC8H4NORf2
Molecular Weight
248.020000
Exact Mass
246.944430
InChI
InChI=1S/C8H4BrF2NO/c9-4-1-2-6-5(3-4)8(10,11)7(13)12-6/h1-3H,(H,12,13)
InChIKey
NQVFCXSWOMDLAY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.12
H-bond acceptors
1
H-bond donors
1
Molar refractivity
46.67
TPSA
29.1
LogP / Solubility
WLOGP
2.49
MLOGP
2.2
XLogP3
2.2
Consensus LogP
2.3
Log S (ESOL)
-3.29
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.39
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.34
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)
-2.46
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 552335-47-4 L-Proline, 1-[(2S)-2-[[(1,1-diMethylethoxy)carbonyl]aMino]-1-oxo-8-nonen-1-yl]-4-hydroxy-, (4R)- molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
L-Proline, 1-[(2S)-2-[[(1,1-diMethylethoxy)carbonyl]aMino]-1-oxo-8-nonen-1-yl]-4-hydroxy-, (4R)-
- CAS RN: 552335-47-4
- Product Code: starshine_CAS552335-47-4
- Purity/Analytical method: >99.0%
-
(S)-N-Boc-2-(5′-hexyl)glycine
- CAS RN: 552335-71-4
- Product Code: starshine_CAS552335-71-4
- Purity/Analytical method: >99.0%
-
-
-
-
7-chloroisoquinoline-1-carboxylic acid
- CAS RN: 552850-71-2
- Product Code: starshine_CAS552850-71-2
- Purity/Analytical method: >99.0%
![CAS 552335-47-4 L-Proline, 1-[(2S)-2-[[(1,1-diMethylethoxy)carbonyl]aMino]-1-oxo-8-nonen-1-yl]-4-hydroxy-, (4R)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/552335-47-4.gif)
