CAS RN: 1436861-97-0
Zidebactam
Product Availability
Choose a grade to view its available package options.
6 package records5 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250323 | 5mg / 10mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1436861-97-0
- Purity/Analytical Methods: >99.0%
1436861-97-0 / [(2S,5R)-7-oxo-2-[[[(3R)-piperidine-3-carbonyl]amino]carbamoyl]-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate
Basic Information
CAS
1436861-97-0
Multi CAS
No
Molecular Formula
C13H21N5O7S
Molecular Weight
391.400000
Exact Mass
391.116169
SMILES
C1C[C@H](CNC1)C(=O)NNC(=O)[C@@H]2CC[C@@H]3CN2C(=O)N3OS(=O)(=O)O
InChI
InChI=1S/C13H21N5O7S/c19-11(8-2-1-5-14-6-8)15-16-12(20)10-4-3-9-7-17(10)13(21)18(9)25-26(22,23)24/h8-10,14H,1-7H2,(H,15,19)(H,16,20)(H,22,23,24)/t8-,9-,10+/m1/s1
InChIKey
YCZPXRQPDCXTIO-BBBLOLIVSA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Fraction Csp3
0.77
Rotatable bonds
4
H-bond acceptors
7
H-bond donors
4
Molar refractivity
85.26
TPSA
157.38
LogP / Solubility
WLOGP
-1.86
MLOGP
-1.62
XLogP3
-4.2
Consensus LogP
-2.56
Log S (ESOL)
-0.83
Class (ESOL)
Very soluble
Log S (Ali)
-1.42
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.14
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)
-6.43
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
6.5
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