CAS RN: 69388-79-0
Sulbactam pivoxil
Product Availability
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5 package records5 with current stock3 grade groups
- Product code: starshine_CAS69388-79-0
- Purity/Analytical Methods: >99.0%
69388-79-0 / 2,2-dimethylpropanoyloxymethyl 3,3-dimethyl-4,4,7-trioxo-4lambda6-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
Basic Information
CAS
69388-79-0
Multi CAS
Yes
Molecular Formula
C14H21NO7S
Molecular Weight
347.390000
Exact Mass
347.103873
InChI
InChI=1S/C14H21NO7S/c1-13(2,3)12(18)22-7-21-11(17)10-14(4,5)23(19,20)9-6-8(16)15(9)10/h9-10H,6-7H2,1-5H3/t9-,10+/m1/s1
InChIKey
OHPVYKXTRACOSQ-ZJUUUORDSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Fraction Csp3
0.79
Rotatable bonds
3
H-bond acceptors
7
Molar refractivity
78.54
TPSA
107.05
LogP / Solubility
WLOGP
0.21
MLOGP
0.2
XLogP3
0.7
Consensus LogP
0.37
Log S (ESOL)
-1.93
Class (ESOL)
Soluble
Log S (Ali)
-2.56
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.45
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)
-4.69
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
3.5
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- Product Code: starshine_CAS69394-17-8
- Purity/Analytical method: >99.0%
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