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, 10g, 25g, 100g, 1000g
- Available purity: >97%
- Inventory rows with stock: 8
- 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% | 5 In Stock | Shanghai | Inquiry |
| 5g | >97% | 5 In Stock | Shenzhen | Inquiry |
| 10g | -- | 5 In Stock | Shanghai | Inquiry |
| 10g | >97% | 5 In Stock | Shanghai | Inquiry |
| 25g | -- | 5 In Stock | Shenzhen | Inquiry |
| 25g | >97% | 5 In Stock | Hong Kong | Inquiry |
| 100g | -- | 5 In Stock | Beijing | Inquiry |
| 100g | >97% | 5 In Stock | Shenzhen | Inquiry |
| 1000g | -- | 0 Out of Stock | Shanghai | Inquiry |
3621-82-7 / 2,6-dichloro-1,3-benzoxazole
Basic Information
CAS
3621-82-7
Multi CAS
Yes
Molecular Formula
C7H3CL2NO
Molecular Weight
188.010000
Exact Mass
186.959169
InChI
InChI=1S/C7H3Cl2NO/c8-4-1-2-5-6(3-4)11-7(9)10-5/h1-3H
InChIKey
LVVQTPZQNHQLOM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
9
H-bond acceptors
2
Molar refractivity
44.03
TPSA
26.03
LogP / Solubility
WLOGP
3.13
MLOGP
2.76
XLogP3
3.8
Consensus LogP
3.23
Log S (ESOL)
-3.59
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.36
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.48
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.64
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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