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: 1g, 5g, 10g, 25g, 100g, 500g
- Available purity: >97%
- Inventory rows with stock: 11
- 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.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | -- | 5 In Stock | Shanghai | Inquiry |
| 5g | -- | 5 In Stock | Shanghai | Inquiry |
| 10g | -- | 5 In Stock | Beijing | Inquiry |
| 1g | >97% | 4 In Stock | Hong Kong | Inquiry |
| 5g | >97% | 4 In Stock | Beijing | Inquiry |
| 10g | >97% | 4 In Stock | Shanghai | Inquiry |
| 25g | -- | 4 In Stock | Hong Kong | Inquiry |
| 25g | >97% | 3 In Stock | Hong Kong | Inquiry |
| 100g | -- | 2 In Stock | Beijing | Inquiry |
| 500g | -- | 2 In Stock | Beijing | Inquiry |
| 100g | >97% | 1 In Stock | Shenzhen | Inquiry |
| 500g | >97% | 0 Out of Stock | Hong Kong | Inquiry |
21397-08-0 / 2-chloro-3-fluoroaniline
Basic Information
CAS
21397-08-0
Multi CAS
No
Molecular Formula
C6H5ClFN
Molecular Weight
145.560000
Exact Mass
145.009455
SMILES
C1=CC(=C(C(=C1)F)Cl)N
InChI
InChI=1S/C6H5ClFN/c7-6-4(8)2-1-3-5(6)9/h1-3H,9H2
InChIKey
FJKIADFDXOCBRV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Aromatic heavy atom count
6
H-bond acceptors
1
H-bond donors
1
Molar refractivity
35.82
TPSA
26.02
LogP / Solubility
WLOGP
2.06
MLOGP
1.81
XLogP3
2.3
Consensus LogP
2.06
Log S (ESOL)
-2.53
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.24
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.32
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)
-2.14
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
-
-
Carbamic acid, [(3S)-hexahydro-1H-azepin-3-yl]-, 1,1-dimethylethyl ester (9CI)
- CAS RN: 213990-48-8
- Product Code: SSC-102585
-
-
(2R)-2-AMINO-2-(2-METHOXYPHENYL)ETHAN-1-OL
- CAS RN: 213990-65-9
- Product Code: starshine_CAS213990-65-9
- Purity/Analytical method: >99.0%
-
Cyclohexanemethanol, 2-amino-, (1S,2R)- (9CI)
- CAS RN: 213993-30-7
- Product Code: SSC-102588
![CAS 213990-48-8 Carbamic acid, [(3S)-hexahydro-1H-azepin-3-yl]-, 1,1-dimethylethyl ester (9CI) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/213990-48-8.gif)
