CAS RN: 27138-31-4
Oxydipropyl dibenzoate
Product Availability
Choose a grade to view its available package options.
3 package records3 with current stock1 grade group
- Product code: SSC-125955
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: 500g
- Available purity: ＞97%
- 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 |
|---|---|---|---|---|
| 500g | ＞97% | 0 Out of Stock | Hong Kong | Inquiry |
27138-31-4 / 2-(1-benzoyloxypropan-2-yloxy)propyl benzoate
Basic Information
CAS
27138-31-4
Multi CAS
Yes
Molecular Formula
C20H22O5
Molecular Weight
342.400000
Exact Mass
342.146724
InChI
InChI=1S/C20H22O5/c1-15(13-23-19(21)17-9-5-3-6-10-17)25-16(2)14-24-20(22)18-11-7-4-8-12-18/h3-12,15-16H,13-14H2,1-2H3
InChIKey
CGLQOIMEUPORRI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
25
Aromatic heavy atom count
12
Fraction Csp3
0.3
Rotatable bonds
8
H-bond acceptors
5
Molar refractivity
93.46
TPSA
61.83
LogP / Solubility
WLOGP
3.49
MLOGP
3.09
XLogP3
4
Consensus LogP
3.53
Log S (ESOL)
-3.99
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.89
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.75
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.33
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
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