CAS RN: 1629220-00-3
3-broMo-1-phenylnaphthalene
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.20250318 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-070450
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 | Shanghai | Inquiry |
1629220-00-3 / 3-bromo-1-phenylnaphthalene
Basic Information
CAS
1629220-00-3
Multi CAS
No
Molecular Formula
C16H11Br
Molecular Weight
283.160000
Exact Mass
282.004410
SMILES
C1=CC=C(C=C1)C2=CC(=CC3=CC=CC=C32)Br
InChI
InChI=1S/C16H11Br/c17-14-10-13-8-4-5-9-15(13)16(11-14)12-6-2-1-3-7-12/h1-11H
InChIKey
GRUKHFZCGGUUAZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
16
Rotatable bonds
1
Molar refractivity
77.08
TPSA
0.0000
LogP / Solubility
WLOGP
5.27
MLOGP
4.65
XLogP3
5.5
Consensus LogP
5.14
Log S (ESOL)
-5.55
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.69
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.99
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.71
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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