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 | Beijing | Inquiry |
15110-17-5 / 3-diethoxyphosphoryl-1,1-diethoxypropane
Basic Information
CAS
15110-17-5
Multi CAS
No
Molecular Formula
C11H25O5P
Molecular Weight
268.290000
Exact Mass
268.143961
SMILES
CCOC(CCP(=O)(OCC)OCC)OCC
InChI
InChI=1S/C11H25O5P/c1-5-13-11(14-6-2)9-10-17(12,15-7-3)16-8-4/h11H,5-10H2,1-4H3
InChIKey
WKPXMGJOGYEGNW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Fraction Csp3
1
Rotatable bonds
11
H-bond acceptors
5
Molar refractivity
67.38
TPSA
53.99
LogP / Solubility
WLOGP
3.04
MLOGP
2.68
XLogP3
1.2
Consensus LogP
2.31
Log S (ESOL)
-2.69
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.96
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-5.25
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)
-2.2
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
-
-
-
TRIS(DIMETHYLAMINO)SILANE
- CAS RN: 15112-89-7
- Product Code: starshine_CAS15112-89-7
- Purity/Analytical method: >99.0%
-
1-methyl-2-oxo-1,2-dihydroquinoline-4-carbaldehyde(SALTDATA: FREE)
- CAS RN: 15112-98-8
- Product Code: SSC-061004
-
