CAS RN: 913320-96-4
2-(5-FLUORO-1H-INDOL-3-YL)-2-OXOACETIC ACID
- Product code: SSC-204288
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: 5g
- 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 |
|---|---|---|---|---|
| 5g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
913320-96-4 / 2-(5-fluoro-1H-indol-3-yl)-2-oxoacetic acid
Basic Information
CAS
913320-96-4
Multi CAS
No
Molecular Formula
C10FH6NO3
Molecular Weight
207.160000
Exact Mass
207.033171
InChI
InChI=1S/C10H6FNO3/c11-5-1-2-8-6(3-5)7(4-12-8)9(13)10(14)15/h1-4,12H,(H,14,15)
InChIKey
BUUWYPUCENIMIQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
9
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
50.22
TPSA
70.16
LogP / Solubility
WLOGP
1.57
MLOGP
1.39
XLogP3
1.6
Consensus LogP
1.52
Log S (ESOL)
-2.43
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.4
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.55
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.87
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
-
5′,5””-(anthracene-9,10-diyl)bis(([1,1′:3′,1”-terphenyl]-4,4”-dicarboxylic acid))
- CAS RN: 913343-74-5
- Product Code: starshine_CAS913343-74-5
- Purity/Analytical method: >99.0%
-
(R)-2-((R)-6,7-diMethoxy-1-(4-(trifluoroMethyl)phenethyl)-3,4-dihydroisoquinolin-2(1H)-yl)-N-Methyl-2-phenylacetaMide
- CAS RN: 913358-93-7
- Product Code: starshine_CAS913358-93-7
- Purity/Analytical method: >99.0%
-
-
-
benzyl 5-methyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carboxylate
- CAS RN: 913376-49-5
- Product Code: SSC-204299
![CAS 913343-74-5 5′,5””-(anthracene-9,10-diyl)bis(([1,1′:3′,1”-terphenyl]-4,4”-dicarboxylic acid)) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/913343-74-5.gif)
