![CAS 2449301-27-1 1H-Indole-3-carbonitrile, 2-amino-6-[2-(3-fluorophenyl)ethenyl]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2449301-27-1.gif)
CAS RN: 2449301-27-1
1H-Indole-3-carbonitrile, 2-amino-6-[2-(3-fluorophenyl)ethenyl]-
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260105 | 5mg / 10mg / 50mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: SSC-119127
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 |
2449301-27-1 / 2-amino-6-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indole-3-carbonitrile
Basic Information
CAS
2449301-27-1
Multi CAS
No
Molecular Formula
C17H12FN3
Molecular Weight
277.290000
Exact Mass
277.101526
SMILES
C1=CC(=CC(=C1)F)/C=C/C2=CC3=C(C=C2)C(=C(N3)N)C#N
InChI
InChI=1S/C17H12FN3/c18-13-3-1-2-11(8-13)4-5-12-6-7-14-15(10-19)17(20)21-16(14)9-12/h1-9,21H,20H2/b5-4+
InChIKey
CGXBPMZRTMXEIA-SNAWJCMRSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
15
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
82.75
TPSA
65.6
LogP / Solubility
WLOGP
3.93
MLOGP
3.47
XLogP3
4.3
Consensus LogP
3.9
Log S (ESOL)
-4.43
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.67
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.97
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.62
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
Customers Also Viewed
-
1,4-Benzenedicarboxylic acid, 2,5-bis(pentyloxy)-, 1,4-dihydrazide
- CAS RN: 2450942-48-8
- Product Code: starshine_CAS2450942-48-8
- Purity/Analytical method: >99.0%
-
-
Acetamide, 2-chloro-N-(2,2-dimethylpropyl)-N-(tetrahydro-1,1-dioxido-3-thienyl)-
- CAS RN: 2451481-08-4
- Product Code: starshine_CAS2451481-08-4
- Purity/Analytical method: >99.0%
-
-
-
(2S,3R,4R,5S,6R)-2-(3-(4-ethoxybenzyl)phenyl)-6-(hydroxyl methyl)tetrahydro-2H-pyran-3,4,5-triol
- CAS RN: 2452300-89-7
- Product Code: starshine_CAS2452300-89-7
- Purity/Analytical method: >99.0%
