CAS RN: 87726-17-8
Panipenem
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.20250825 | 5mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS87726-17-8
- Purity/Analytical Methods: >99.0%
87726-17-8 / 3-(1-ethanimidoylpyrrolidin-3-yl)sulfanyl-6-(1-hydroxyethyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
Basic Information
CAS
87726-17-8
Multi CAS
Yes
Molecular Formula
C15H21N3O4S
Molecular Weight
339.400000
Exact Mass
339.125277
InChI
InChI=1S/C15H21N3O4S/c1-7(19)12-10-5-11(13(15(21)22)18(10)14(12)20)23-9-3-4-17(6-9)8(2)16/h7,9-10,12,16,19H,3-6H2,1-2H3,(H,21,22)/t7-,9+,10-,12-/m1/s1
InChIKey
TYMABNNERDVXID-DLYFRVTGSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Fraction Csp3
0.67
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
3
Molar refractivity
86.05
TPSA
104.93
LogP / Solubility
WLOGP
0.7
MLOGP
0.63
Consensus LogP
0.44
Log S (ESOL)
-2.12
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.85
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.93
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
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)
-4.29
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
4.5
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