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
- Available purity: ≥98%
- Inventory rows with stock: 2
- Bulk packaging: confirmed by inquiry
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Recorded sizes, purity and stock details for CAS 36404-30-5
| Pack Size |
Recorded Purity |
Available Qty |
Ship From |
Inquiry |
| 1g |
≥98% |
5
In Stock
|
Hong Kong |
Inquiry |
| 5g |
≥98% |
3
In Stock
|
Shenzhen |
Inquiry |
| 10g |
≥98% |
0
Out of Stock
|
Shanghai |
Inquiry |
| 25g |
≥98% |
0
Out of Stock
|
Shanghai |
Inquiry |
| 100g |
≥98% |
0
Out of Stock
|
Hong Kong |
Inquiry |
36404-30-5 / 1,2-dichloro-4-methoxybenzene
Standard CAS: 36404-30-5
Multi CAS: No
Basic Information
CAS
36404-30-5
Multi CAS
No
Molecular Formula
C7H6CL2O
Molecular Weight
177.020000
Exact Mass
175.979570
InChI
InChI=1S/C7H6Cl2O/c1-10-5-2-3-6(8)7(9)4-5/h2-4H,1H3
InChIKey
VISJRVXHPNMYRH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
43.01
TPSA
9.23
LogP / Solubility
WLOGP
3
MLOGP
2.64
XLogP3
3.4
Consensus LogP
3.01
Log S (ESOL)
-3.21
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.18
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.42
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.67
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5