CAS RN: 63527-52-6
Cefotaxime
Product Availability
Choose a grade to view its available package options.
6 package records6 with current stock2 grade groups
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20250308 | 1ml | In stock | Inquiry |
- Product code: starshine_CAS63527-52-6
- Purity/Analytical Methods: >99.0%
63527-52-6 / 3-(acetyloxymethyl)-7-[[2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Basic Information
CAS
63527-52-6
Multi CAS
Yes
Molecular Formula
C16H17N5O7S2
Molecular Weight
455.500000
Exact Mass
455.056940
InChI
InChI=1S/C16H17N5O7S2/c1-6(22)28-3-7-4-29-14-10(13(24)21(14)11(7)15(25)26)19-12(23)9(20-27-2)8-5-30-16(17)18-8/h5,10,14H,3-4H2,1-2H3,(H2,17,18)(H,19,23)(H,25,26)/b20-9-/t10-,14-/m1/s1
InChIKey
GPRBEKHLDVQUJE-QSWIMTSFSA-N
Computed Properties
Structural Parameters
Heavy atom count
30
Aromatic heavy atom count
5
Fraction Csp3
0.38
Rotatable bonds
7
H-bond acceptors
11
H-bond donors
3
Molar refractivity
106.39
TPSA
173.51
LogP / Solubility
WLOGP
-0.62
MLOGP
-0.52
XLogP3
-1.4
Consensus LogP
-0.85
Log S (ESOL)
-1.93
Class (ESOL)
Soluble
Log S (Ali)
-2.85
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.94
Class (SILICOS-IT)
Moderately 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)
-5.94
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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