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: 10g
- 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 |
|---|---|---|---|---|
| 10g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
905302-42-3 / 15-[(2-methylpropan-2-yl)oxy]-15-oxopentadecanoic acid
Basic Information
CAS
905302-42-3
Multi CAS
No
Molecular Formula
C19H36O4
Molecular Weight
328.500000
Exact Mass
328.261360
InChI
InChI=1S/C19H36O4/c1-19(2,3)23-18(22)16-14-12-10-8-6-4-5-7-9-11-13-15-17(20)21/h4-16H2,1-3H3,(H,20,21)
InChIKey
BDHAQLJDYZFGNC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Fraction Csp3
0.89
Rotatable bonds
14
H-bond acceptors
3
H-bond donors
1
Molar refractivity
93.5
TPSA
63.6
LogP / Solubility
WLOGP
5.48
MLOGP
4.84
XLogP3
6.1
Consensus LogP
5.47
Log S (ESOL)
-4.41
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.21
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.03
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.83
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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