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, 5g, 10g, 25g
- Available purity: >97%
- Inventory rows with stock: 6
- 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 |
|---|---|---|---|---|
| 0.1g | >97% | 5 In Stock | Beijing | Inquiry |
| 0.25g | >97% | 5 In Stock | Beijing | Inquiry |
| 1g | >97% | 5 In Stock | Beijing | Inquiry |
| 5g | >97% | 5 In Stock | Hong Kong | Inquiry |
| 10g | >97% | 5 In Stock | Shanghai | Inquiry |
| 25g | >97% | 5 In Stock | Hong Kong | Inquiry |
1269232-99-6 / 3-bromo-2,5-difluoroaniline
Basic Information
CAS
1269232-99-6
Multi CAS
No
Molecular Formula
C6H4BrF2N
Molecular Weight
208.000000
Exact Mass
206.949520
SMILES
C1=C(C=C(C(=C1N)F)Br)F
InChI
InChI=1S/C6H4BrF2N/c7-4-1-3(8)2-5(10)6(4)9/h1-2H,10H2
InChIKey
JBGGFYZUDGDHMN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
6
H-bond acceptors
1
H-bond donors
1
Molar refractivity
38.47
TPSA
26.02
LogP / Solubility
WLOGP
2.31
MLOGP
2.03
XLogP3
2.1
Consensus LogP
2.15
Log S (ESOL)
-3.03
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.93
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.93
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)
-2.35
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
Customers Also Viewed
-
2,5-Difluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
- CAS RN: 1269233-00-2
- Product Code: SSC-034231
-
2-chloro-5-(tetramethyl-1,3,2-dioxaborolan-2-al)aniline
- CAS RN: 1269233-01-3
- Product Code: SSC-034232
-
3-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
- CAS RN: 1269233-11-5
- Product Code: SSC-034233
-
(3-AMINO-5-(DIFLUOROMETHOXY)PHENYL)BORONIC ACID PINACOL ESTER
- CAS RN: 1269233-12-6
- Product Code: SSC-034234
-
-
![CAS 1269266-69-4 11H-Benzo[a]carbazole, 5,8-dibromo- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1269266-69-4.gif)
