CAS RN: 1086385-16-1
6-BroMo-2-(Methylthio)-quinazoline
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.20260128 | 250mg / 1g / 10g | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-009901
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 | Hong Kong | Inquiry |
1086385-16-1 / 6-bromo-2-methylsulfanylquinazoline
6-bromo-2-(methylsulfanyl)quinazoline | 6-Bromo-2-(methylthio)-quinazoline | 6-Bromo-2-(methylthio)quinazoline
Basic Information
CAS
1086385-16-1
Multi CAS
No
Molecular Formula
C9H7BrN2S
Molecular Weight
255.140000
Exact Mass
253.951330
SMILES
CSC1=NC=C2C=C(C=CC2=N1)Br
InChI
InChI=1S/C9H7BrN2S/c1-13-9-11-5-6-4-7(10)2-3-8(6)12-9/h2-5H,1H3
InChIKey
ULIDQRDTNWMJOS-UHFFFAOYSA-N
Synonyms
6-bromo-2-(methylsulfanyl)quinazoline
6-Bromo-2-(methylthio)-quinazoline
6-Bromo-2-(methylthio)quinazoline
6-Bromo-2-methylsulfanyl-quinazoline
MFCD11521552
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
10
Fraction Csp3
0.11
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
59.02
TPSA
25.78
LogP / Solubility
WLOGP
3.11
MLOGP
2.75
XLogP3
3.2
Consensus LogP
3.02
Log S (ESOL)
-3.89
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.9
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.02
Class (SILICOS-IT)
Slightly 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)
-2.07
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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