.gif)
CAS RN: 1379345-02-4
4-BROMO-8-NITROQUINOLINE
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.20250510 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: SSC-047799
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: 1g
- 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 |
|---|---|---|---|---|
| 1g | ＞95% | 0 Out of Stock | Beijing | Inquiry |
1379345-02-4 / 4-bromo-8-nitroquinoline
Basic Information
CAS
1379345-02-4
Multi CAS
No
Molecular Formula
C9H5BrN2O2
Molecular Weight
253.050000
Exact Mass
251.953440
SMILES
C1=CC2=C(C=CN=C2C(=C1)[N+](=O)[O-])Br
InChI
InChI=1S/C9H5BrN2O2/c10-7-4-5-11-9-6(7)2-1-3-8(9)12(13)14/h1-5H
InChIKey
PAXJMMPHGVRQJX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
10
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
56.1
TPSA
56.03
LogP / Solubility
WLOGP
2.91
MLOGP
2.56
XLogP3
2.7
Consensus LogP
2.72
Log S (ESOL)
-3.7
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.73
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.84
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.2
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
Customers Also Viewed
-
4-Bromo-6-iodoquinoline
- CAS RN: 1379345-12-6
- Product Code: starshine_CAS1379345-12-6
- Purity/Analytical method: >99.0%
-
ethyl 4-methyl-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxylate
- CAS RN: 1379345-44-4
- Product Code: SSC-047801
-
-
4-CHLORO-2-METHYL-5-(TRIFLUOROMETHYL)ANILINE
- CAS RN: 1379346-32-3
- Product Code: SSC-047805
-
-
methyl 5-amino-4-bromothiophene-2-carboxylate
- CAS RN: 1379347-49-5
- Product Code: SSC-047807
.gif)
![CAS 1379345-44-4 ethyl 4-methyl-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1379345-44-4.gif)
![CAS 1379347-06-4 8-Chloro-3-iodo-iMidazo[1,2-a]pyridine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1379347-06-4.gif)
