CAS RN: 1729-99-3
8-Bromo-1-naphthoic acid
Product Availability
Choose a grade to view its available package options.
10 package records9 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251101 | 100g | In stock | Shanghai | Inquiry |
| Batchno.20260315 | 10g | In stock | Shanghai, Shenzhen | Inquiry |
| Batchno.20260604 | 1g | In stock | Shanghai, Wuhan, Chengdu | Inquiry |
| Batchno.20251013 | 250mg | In stock | Shanghai, Tianjin | Inquiry |
| Batchno.20251204 | 25g | In stock | Shanghai, Tianjin | Inquiry |
| Batchno.20250320 | 5g | In stock | Shanghai | Inquiry |
- Product code: SSC-075968
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: 1g, 0.25g, 5g, 10g, 25g
- Available purity: ≥97%
- Inventory rows with stock: 1
- 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 |
|---|---|---|---|---|
| 1g | ≥97% | 1 In Stock | Shenzhen | Inquiry |
| 0.25g | ≥97% | 0 Out of Stock | Shenzhen | Inquiry |
| 5g | ≥97% | 0 Out of Stock | Hong Kong | Inquiry |
| 10g | ≥97% | 0 Out of Stock | Beijing | Inquiry |
| 25g | ≥97% | 0 Out of Stock | Beijing | Inquiry |
1729-99-3 / 8-bromonaphthalene-1-carboxylic acid
Basic Information
CAS
1729-99-3
Multi CAS
No
Molecular Formula
C11H7BrO2
Molecular Weight
251.080000
Exact Mass
249.962940
SMILES
C1=CC2=C(C(=C1)C(=O)O)C(=CC=C2)Br
InChI
InChI=1S/C11H7BrO2/c12-9-6-2-4-7-3-1-5-8(10(7)9)11(13)14/h1-6H,(H,13,14)
InChIKey
DMEZDDHJCUHENA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
10
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
58.61
TPSA
37.3
LogP / Solubility
WLOGP
3.3
MLOGP
2.91
XLogP3
3.1
Consensus LogP
3.1
Log S (ESOL)
-3.94
Class (ESOL)
Poorly soluble
Log S (Ali)
-4
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.15
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)
-1.91
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501
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