CAS RN: 1391934-98-7
FIDAS-5
Product Availability
Choose a grade to view its available package options.
7 package records7 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260228 | 100mg | In stock | Shanghai | Inquiry |
| Batchno.20250315 | 10mg | In stock | Shanghai | Inquiry |
| Batchno.20250408 | 1g | In stock | Shanghai | Inquiry |
| Batchno.20260415 | 1mg | In stock | Shanghai | Inquiry |
| Batchno.20250824 | 250mg | In stock | Shanghai | Inquiry |
| Batchno.20260510 | 50mg | In stock | Shanghai | Inquiry |
| Batchno.20260407 | 5mg | In stock | Shanghai | Inquiry |
- Product code: SSC-049602
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
- Available purity: >97%
- Inventory rows with stock: 3
- 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.
1391934-98-7 / 4-[(E)-2-(2-chloro-6-fluorophenyl)ethenyl]-N-methylaniline
Basic Information
CAS
1391934-98-7
Multi CAS
No
Molecular Formula
C15H13ClFN
Molecular Weight
261.720000
Exact Mass
261.072055
SMILES
CNC1=CC=C(C=C1)/C=C/C2=C(C=CC=C2Cl)F
InChI
InChI=1S/C15H13ClFN/c1-18-12-8-5-11(6-9-12)7-10-13-14(16)3-2-4-15(13)17/h2-10,18H,1H3/b10-7+
InChIKey
KXVXICBOMOGFMH-JXMROGBWSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
12
Fraction Csp3
0.07
Rotatable bonds
3
H-bond acceptors
1
H-bond donors
1
Molar refractivity
76.33
TPSA
12.03
LogP / Solubility
WLOGP
4.69
MLOGP
4.14
XLogP3
4.9
Consensus LogP
4.58
Log S (ESOL)
-4.71
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.09
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.61
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)
-0.99
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
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