![CAS 93957-50-7 (E)-3-[3-(4-Fluorophenyl)-1-isopropylindol-2-yl]acrolein molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/f0819-jpgcontextbwfzdgvyfhjvb3r8nda2mjr8aw1hz2uvanblz3xozdcvadc4lzg5mza2nza2mdg0mtqvrja4mtkuanbnfdkzytrintg3mdkznzi3mze1ztdlzdg4ztk3njq0njg0nwe4zmewzjzkodm2zjm2nzcyzdq1n2i3ngfmyza5mjc.jpeg)
CAS RN: 93957-50-7
(E)-3-[3-(4-Fluorophenyl)-1-isopropylindol-2-yl]acrolein
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250731 | 1g / 5g / 25g / 100g | Confirm by inquiry | Shandong | 8-10 business days | Inquiry |
- Product code: SSC-208447
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: 100g
- 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 |
|---|---|---|---|---|
| 100g | ＞97% | 0 Out of Stock | Hong Kong | Inquiry |
93957-50-7 / (E)-3-[3-(4-fluorophenyl)-1-propan-2-ylindol-2-yl]prop-2-enal
Basic Information
CAS
93957-50-7
Multi CAS
Yes
Molecular Formula
C20FH18NO
Molecular Weight
307.400000
Exact Mass
307.137242
InChI
InChI=1S/C20H18FNO/c1-14(2)22-18-7-4-3-6-17(18)20(19(22)8-5-13-23)15-9-11-16(21)12-10-15/h3-14H,1-2H3/b8-5+
InChIKey
DVWHSTKQJBIYCK-VMPITWQZSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
15
Fraction Csp3
0.15
Rotatable bonds
4
H-bond acceptors
2
Molar refractivity
92.82
TPSA
22
LogP / Solubility
WLOGP
5.24
MLOGP
4.62
XLogP3
4.4
Consensus LogP
4.75
Log S (ESOL)
-5.27
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.86
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.49
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.87
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
