CAS RN: 1383814-68-3
Avibactam Impurity 3(2R,5S)
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.20260201 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1383814-68-3
- Purity/Analytical Methods: >99.0%
1383814-68-3 / sodium [(2R,5S)-2-carbamoyl-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] sulfate
Basic Information
CAS
1383814-68-3
Multi CAS
No
Molecular Formula
C7H10N3NaO6S
Molecular Weight
287.230000
Exact Mass
287.018801
SMILES
C1C[C@@H](N2C[C@H]1N(C2=O)OS(=O)(=O)[O-])C(=O)N.[Na+]
InChI
InChI=1S/C7H11N3O6S.Na/c8-6(11)5-2-1-4-3-9(5)7(12)10(4)16-17(13,14)15;/h4-5H,1-3H2,(H2,8,11)(H,13,14,15);/q;+1/p-1/t4-,5+;/m0./s1
InChIKey
RTCIKUMODPANKX-UYXJWNHNSA-M
Computed Properties
Structural Parameters
Heavy atom count
18
Fraction Csp3
0.71
Rotatable bonds
3
H-bond acceptors
6
H-bond donors
1
Molar refractivity
50.73
TPSA
133.07
LogP / Solubility
WLOGP
-4.86
MLOGP
-4.27
XLogP3
-4.86
Consensus LogP
-4.66
Log S (ESOL)
1.64
Class (ESOL)
Highly soluble
Log S (Ali)
1.6
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
2.15
Class (SILICOS-IT)
Highly 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)
-7.93
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
5
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