CAS RN: 60815-18-1
Diethyl (3-Methoxybenzyl)phosphonate
Product Availability
Choose a grade to view its available package options.
7 package records5 with current stock2 grade groups
- Product code: SSC-169490
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: ≥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 |
|---|---|---|---|---|
| 1g | ≥97% | 0 Out of Stock | Hong Kong | Inquiry |
60815-18-1 / 1-(diethoxyphosphorylmethyl)-3-methoxybenzene
Basic Information
CAS
60815-18-1
Multi CAS
No
Molecular Formula
C12H19O4P
Molecular Weight
258.250000
Exact Mass
258.102096
InChI
InChI=1S/C12H19O4P/c1-4-15-17(13,16-5-2)10-11-7-6-8-12(9-11)14-3/h6-9H,4-5,10H2,1-3H3
InChIKey
IGGMUQNGGBRXFB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
7
H-bond acceptors
4
Molar refractivity
67.56
TPSA
44.76
LogP / Solubility
WLOGP
3.46
MLOGP
3.05
XLogP3
1.7
Consensus LogP
2.74
Log S (ESOL)
-3.42
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.18
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.05
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)
-1.84
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
