CAS RN: 944893-62-3
1-(2-fluorobenzyl)-1H-indole-5-carbaldehyde
- Product code: SSC-209387
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: 1g
- Available purity: ＞97%
- 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 |
|---|---|---|---|---|
| 1g | ＞97% | 0 Out of Stock | Hong Kong | Inquiry |
944893-62-3 / 1-[(2-fluorophenyl)methyl]indole-5-carbaldehyde
Basic Information
CAS
944893-62-3
Multi CAS
No
Molecular Formula
C16FH12NO
Molecular Weight
253.270000
Exact Mass
253.090292
InChI
InChI=1S/C16H12FNO/c17-15-4-2-1-3-14(15)10-18-8-7-13-9-12(11-19)5-6-16(13)18/h1-9,11H,10H2
InChIKey
JQELACSLNFEYHB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
15
Fraction Csp3
0.06
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
72.83
TPSA
22
LogP / Solubility
WLOGP
3.64
MLOGP
3.21
XLogP3
3.2
Consensus LogP
3.35
Log S (ESOL)
-4.09
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.27
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.69
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.68
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
-
-
(2-METHOXYPYRIDIN-4-YL)METHYLAMINE
- CAS RN: 944895-40-3
- Product Code: starshine_CAS944895-40-3
- Purity/Analytical method: >99.0%
-
-
6-Bromoimidazo[1,2-a]pyridine-3-carboxylicacid
- CAS RN: 944896-42-8
- Product Code: SSC-209391
-
6-methoxyimidazo[1,2-a]pyridine-3-carboxylic acid
- CAS RN: 944896-44-0
- Product Code: SSC-209392
-
![CAS 944896-42-8 6-Bromoimidazo[1,2-a]pyridine-3-carboxylicacid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/944896-42-8.gif)
![CAS 944896-44-0 6-methoxyimidazo[1,2-a]pyridine-3-carboxylic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/944896-44-0.gif)
![CAS 944896-64-4 iMidazo[1,2-a]pyriMidine-6-carboxylic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/944896-64-4.gif)