CAS RN: 493038-93-0
3-Chloro-5-fluorobenzyl Cyanide
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.20260212 | 1g / 5g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: SSC-155656
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: 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 |
|---|---|---|---|---|
| 25g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
493038-93-0 / 2-(3-chloro-5-fluorophenyl)acetonitrile
Basic Information
CAS
493038-93-0
Multi CAS
No
Molecular Formula
C8H5CLFN
Molecular Weight
169.580000
Exact Mass
169.009455
InChI
InChI=1S/C8H5ClFN/c9-7-3-6(1-2-11)4-8(10)5-7/h3-5H,1H2
InChIKey
GWPLYSLPTCBNDL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
40.73
TPSA
23.79
LogP / Solubility
WLOGP
2.55
MLOGP
2.24
XLogP3
2.3
Consensus LogP
2.36
Log S (ESOL)
-2.83
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.79
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.99
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.95
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
-
2-Cyano-N-[4-(trifluoromethyl)phenyl]acetamide
- CAS RN: 24522-30-3
- Product Code: SSC-119188
-
-
-
-
![CAS 24522-30-3 2-Cyano-N-[4-(trifluoromethyl)phenyl]acetamide molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/c3217-jpgcontextbwfzdgvyfhjvb3r8mjc5ntf8aw1hz2uvanblz3xoymivadhklzg5mjk2njc1mtqzotgvqzmymtcuanbnfdcyymy2odixywi0ota0odaxm2uymtm2nzdlmgvjnde4yzg5y2mwm2fiyzqwyzrjmwmwzmewngu5ndk4ndq5ogy.jpeg)
