CAS RN: 56106-37-7
1,3-Dipropoxybenzene
Product Availability
Choose a grade to view its available package options.
2 package records2 with current stock1 grade group
- Product code: SSC-164066
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: 1ml
- Available purity: ≥98%
- 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 |
|---|---|---|---|---|
| 1ml | ≥98% | 0 Out of Stock | Beijing | Inquiry |
56106-37-7 / 1,3-dipropoxybenzene
Basic Information
CAS
56106-37-7
Multi CAS
Yes
Molecular Formula
C12H18O2
Molecular Weight
194.270000
Exact Mass
194.130680
InChI
InChI=1S/C12H18O2/c1-3-8-13-11-6-5-7-12(10-11)14-9-4-2/h5-7,10H,3-4,8-9H2,1-2H3
InChIKey
UTFRNSPYRPYKDV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
6
H-bond acceptors
2
Molar refractivity
58.01
TPSA
18.46
LogP / Solubility
WLOGP
3.26
MLOGP
2.87
XLogP3
3.8
Consensus LogP
3.31
Log S (ESOL)
-3.02
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.51
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.35
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)
-1.59
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
