CAS RN: 83803-80-9
4-Butylbenzaldehyde Diethyl Acetal
Product Availability
Choose a grade to view its available package options.
2 package records2 with current stock1 grade group
- Product code: SSC-191510
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: 5ml
- 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 |
|---|---|---|---|---|
| 5ml | ≥95% | 0 Out of Stock | Beijing | Inquiry |
83803-80-9 / 1-butyl-4-(diethoxymethyl)benzene
Basic Information
CAS
83803-80-9
Multi CAS
No
Molecular Formula
C15H24O2
Molecular Weight
236.350000
Exact Mass
236.177630
InChI
InChI=1S/C15H24O2/c1-4-7-8-13-9-11-14(12-10-13)15(16-5-2)17-6-3/h9-12,15H,4-8H2,1-3H3
InChIKey
VZIJDIWCWDYVFM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.6
Rotatable bonds
8
H-bond acceptors
2
Molar refractivity
71.05
TPSA
18.46
LogP / Solubility
WLOGP
4.1
MLOGP
3.61
XLogP3
4.2
Consensus LogP
3.97
Log S (ESOL)
-3.62
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.46
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.56
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.25
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
