CAS RN: 169205-77-0
(3-BROMOPHENYL)-(6-NITROQUINAZOLIN-4-YL)AMINE
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250204 | 100mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-073826
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: 0.25g
- 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 |
|---|---|---|---|---|
| 0.25g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
169205-77-0 / N-(3-bromophenyl)-6-nitroquinazolin-4-amine
Basic Information
CAS
169205-77-0
Multi CAS
No
Molecular Formula
C14H9BrN4O2
Molecular Weight
345.150000
Exact Mass
343.990890
SMILES
C1=CC(=CC(=C1)Br)NC2=NC=NC3=C2C=C(C=C3)[N+](=O)[O-]
InChI
InChI=1S/C14H9BrN4O2/c15-9-2-1-3-10(6-9)18-14-12-7-11(19(20)21)4-5-13(12)16-8-17-14/h1-8H,(H,16,17,18)
InChIKey
MAVKGSSRIBVAGI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
16
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
1
Molar refractivity
83.62
TPSA
80.95
LogP / Solubility
WLOGP
4.04
MLOGP
3.58
XLogP3
3.9
Consensus LogP
3.84
Log S (ESOL)
-4.89
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.31
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.62
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)
-1.95
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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