![CAS 144912-63-0 2-(8,9-dioxo-2,6-diazabicyclo[5.2.0]non-1(7)-en-2-yl)ethylphosphonic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/144912-63-0.gif)
CAS RN: 144912-63-0
2-(8,9-dioxo-2,6-diazabicyclo[5.2.0]non-1(7)-en-2-yl)ethylphosphonic acid
Product Availability
Choose a grade to view its available package options.
6 package records3 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250614 | 100mg | In stock | Shanghai | Inquiry | |
| Batchno.20250207 | 10mg | In stock | Shanghai | Inquiry | |
| Batchno.20251209 | 10mg / 25mg / 50mg | Out of stock | 8-10 business days | Inquiry | |
| Batchno.20250618 | 250mg | Out of stock | Inquiry | ||
| Batchno.20260208 | 25mg | Out of stock | Inquiry | ||
| Batchno.20250908 | 50mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS144912-63-0
- Purity/Analytical Methods: >99.0%
144912-63-0 / 2-(8,9-dioxo-2,6-diazabicyclo[5.2.0]non-1(7)-en-2-yl)ethylphosphonic acid
Basic Information
CAS
144912-63-0
Multi CAS
No
Molecular Formula
C9H13N2O5P
Molecular Weight
260.180000
Exact Mass
260.056209
SMILES
C1CNC2=C(C(=O)C2=O)N(C1)CCP(=O)(O)O
InChI
InChI=1S/C9H13N2O5P/c12-8-6-7(9(8)13)11(3-1-2-10-6)4-5-17(14,15)16/h10H,1-5H2,(H2,14,15,16)
InChIKey
BDABGOLMYNHHTR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
4
Fraction Csp3
0.56
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
3
Molar refractivity
63.58
TPSA
106.94
LogP / Solubility
WLOGP
-0.92
MLOGP
-0.8
XLogP3
-1.6
Consensus LogP
-1.11
Log S (ESOL)
-0.85
Class (ESOL)
Very soluble
Log S (Ali)
-1.03
Class (Ali)
Soluble
Log S (SILICOS-IT)
-0.95
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.96
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
Safety & Transport
Pictogram(s)
Acute Toxic
Signal
Danger
GHS Hazard Statements
H300 (100%): Fatal if swallowed [Danger Acute toxicity, oral]
Precautionary Statement Codes
P264, P270, P301+P316, P321, P330, P405, and P501
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