CAS RN: 161583-75-1
Diethyl 2,2′:6′,2”-Terpyridine-4′-phosphonate
Product Availability
Choose a grade to view its available package options.
3 package records3 with current stock1 grade group
- Product code: SSC-069194
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: 0.25g
- 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 |
|---|---|---|---|---|
| 0.25g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
161583-75-1 / 4-diethoxyphosphoryl-2,6-dipyridin-2-ylpyridine
Basic Information
CAS
161583-75-1
Multi CAS
No
Molecular Formula
C19H20N3O3P
Molecular Weight
369.400000
Exact Mass
369.124229
SMILES
CCOP(=O)(C1=CC(=NC(=C1)C2=CC=CC=N2)C3=CC=CC=N3)OCC
InChI
InChI=1S/C19H20N3O3P/c1-3-24-26(23,25-4-2)15-13-18(16-9-5-7-11-20-16)22-19(14-15)17-10-6-8-12-21-17/h5-14H,3-4H2,1-2H3
InChIKey
MDIMWBGOUZAXEP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
18
Fraction Csp3
0.21
Rotatable bonds
7
H-bond acceptors
6
Molar refractivity
101.19
TPSA
74.2
LogP / Solubility
WLOGP
4.1
MLOGP
3.63
XLogP3
1.9
Consensus LogP
3.21
Log S (ESOL)
-4.76
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.55
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.3
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.06
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364
Customers Also Viewed
-
-
-
-
2,4,6-Tri(pyridin-4-yl)pyridine
- CAS RN: 113919-79-2
- Product Code: ICTP2636
- Purity/Analytical method: >98.0%(HPLC)(N)
-
-
![CAS 14802-41-6 (E)-2-[2-(Pyridin-4-yl)vinyl]pyridine molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/p2784-jpgcontextbwfzdgvyfhjvb3r8mty5njz8aw1hz2uvanblz3xoywevadjmlzkwotc0otiwmdq4otqvudi3odquanbnfdk4ntkzmwnmmzkxmdg2mjizmzazmjawztjmngmwmdbhnzvmnzbin2nlmmfimgzmytu2mwvmntg1ymm1zdqwyjy.jpeg)
