CAS RN: 155648-60-5
Minodronate Monohydrate
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260430 | 100mg / 500mg / 1g | Confirm by inquiry | Shanghai, Shandong | Inquiry |
- Product code: ICTM2360
- Purity/Analytical Methods: >98.0%(HPLC)
155648-60-5 / (1-hydroxy-2-imidazo[1,2-a]pyridin-3-yl-1-phosphonoethyl)phosphonic acid;hydrate
Basic Information
CAS
155648-60-5
Multi CAS
No
Molecular Formula
C9H14N2O8P2
Molecular Weight
340.160000
Exact Mass
340.022539
SMILES
C1=CC2=NC=C(N2C=C1)CC(O)(P(=O)(O)O)P(=O)(O)O.O
InChI
InChI=1S/C9H12N2O7P2.H2O/c12-9(19(13,14)15,20(16,17)18)5-7-6-10-8-3-1-2-4-11(7)8;/h1-4,6,12H,5H2,(H2,13,14,15)(H2,16,17,18);1H2
InChIKey
GPAPAOGRNKUFGH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
9
Fraction Csp3
0.22
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
5
Molar refractivity
71.55
TPSA
184.09
LogP / Solubility
WLOGP
-0.95
MLOGP
-0.82
XLogP3
-0.95
Consensus LogP
-0.91
Log S (ESOL)
-1.41
Class (ESOL)
Soluble
Log S (Ali)
-1.67
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.57
Class (SILICOS-IT)
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)
-5.47
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5
Safety & Transport
Pictogram(s)
Acute Toxic
Health Hazard
Signal
Danger
GHS Hazard Statements
H301 (50%): Toxic if swallowed [Danger Acute toxicity, oral]
H361 (50%): Suspected of damaging fertility or the unborn child [Warning Reproductive toxicity]
Precautionary Statement Codes
P203, P264, P270, P280, P301+P316, P318, P321, P330, P405, and P501
