CAS RN: 1627731-61-6
Zoledronic acid impurity B
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260604 | 10mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1627731-61-6
- Purity/Analytical Methods: >99.0%
1627731-61-6 / hydroxy-[1-hydroxy-2-[3-(2-hydroxy-2,2-diphosphonoethyl)imidazol-3-ium-1-yl]-1-phosphonoethyl]phosphinate
Basic Information
CAS
1627731-61-6
Multi CAS
No
Molecular Formula
C7H16N2O14P4
Molecular Weight
476.100000
Exact Mass
475.955201
SMILES
C1=C[N+](=CN1CC(O)(P(=O)(O)O)P(=O)(O)[O-])CC(O)(P(=O)(O)O)P(=O)(O)O
InChI
InChI=1S/C7H16N2O14P4/c10-6(24(12,13)14,25(15,16)17)3-8-1-2-9(5-8)4-7(11,26(18,19)20)27(21,22)23/h1-2,5,10-11H,3-4H2,(H7-,12,13,14,15,16,17,18,19,20,21,22,23)
InChIKey
SLJRRWMZTREGIF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
27
Aromatic heavy atom count
5
Fraction Csp3
0.57
Rotatable bonds
8
H-bond acceptors
8
H-bond donors
9
Molar refractivity
80.48
TPSA
282.22
LogP / Solubility
WLOGP
-3.85
MLOGP
-3.36
XLogP3
-8.6
Consensus LogP
-5.27
Log S (ESOL)
0.03
Class (ESOL)
Highly soluble
Log S (Ali)
-0.68
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.52
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-8.36
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5
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