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, 5g, 0.1g, 0.25g, 10g, 25g
- Available purity: ≥95%
- Inventory rows with stock: 6
- 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 | ≥95% | 5 In Stock | Shenzhen | Inquiry |
| 5g | ≥95% | 5 In Stock | Hong Kong | Inquiry |
| 0.1g | ≥95% | 4 In Stock | Hong Kong | Inquiry |
| 0.25g | ≥95% | 4 In Stock | Beijing | Inquiry |
| 10g | ≥95% | 4 In Stock | Beijing | Inquiry |
| 25g | ≥95% | 4 In Stock | Beijing | Inquiry |
1227743-83-0 / 3,7-dibromonaphthalene-2,6-diol
Basic Information
CAS
1227743-83-0
Multi CAS
No
Molecular Formula
C10H6Br2O2
Molecular Weight
317.960000
Exact Mass
317.871410
SMILES
C1=C2C=C(C(=CC2=CC(=C1O)Br)O)Br
InChI
InChI=1S/C10H6Br2O2/c11-7-1-5-3-10(14)8(12)2-6(5)4-9(7)13/h1-4,13-14H
InChIKey
FNFVYIDRZOOMQC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
10
H-bond acceptors
2
H-bond donors
2
Molar refractivity
62.68
TPSA
40.46
LogP / Solubility
WLOGP
3.78
MLOGP
3.34
XLogP3
3.8
Consensus LogP
3.64
Log S (ESOL)
-4.72
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.89
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.86
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.98
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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