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 | Hong Kong | Inquiry |
69034-13-5 / 1-(2,2-diethoxyethoxy)-4-methoxybenzene
Basic Information
CAS
69034-13-5
Multi CAS
Yes
Molecular Formula
C13H20O4
Molecular Weight
240.290000
Exact Mass
240.136159
InChI
InChI=1S/C13H20O4/c1-4-15-13(16-5-2)10-17-12-8-6-11(14-3)7-9-12/h6-9,13H,4-5,10H2,1-3H3
InChIKey
XWIJNGRJPFEZIF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.54
Rotatable bonds
8
H-bond acceptors
4
Molar refractivity
65.53
TPSA
36.92
LogP / Solubility
WLOGP
2.47
MLOGP
2.18
XLogP3
2.5
Consensus LogP
2.38
Log S (ESOL)
-2.62
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.32
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.23
Class (SILICOS-IT)
Slightly 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)
-2.43
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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(TERT-BUTYLIMINO)TRIS(DIMETHYLAMINO)TANTALUM
- CAS RN: 69039-11-8
- Product Code: starshine_CAS69039-11-8
- Purity/Analytical method: >99.0%
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