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CAS 92143-31-2 (E)-Ceftriaxone molecular structure lightbox
CAS RN: 92143-31-2

(E)-Ceftriaxone

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250701 5mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS92143-31-2
  • Purity/Analytical Methods: >99.0%
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92143-31-2 / (6R,7R)-7-[[2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-[(2-methyl-5,6-dioxo-1H-1,2,4-triazin-3-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Standard CAS: 92143-31-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
92143-31-2
Multi CAS
Yes
Molecular Formula
C18H18N8O7S3
Molecular Weight
554.600000
Exact Mass
554.046058
InChI
InChI=1S/C18H18N8O7S3/c1-25-18(22-12(28)13(29)23-25)36-4-6-3-34-15-9(14(30)26(15)10(6)16(31)32)21-11(27)8(24-33-2)7-5-35-17(19)20-7/h5,9,15H,3-4H2,1-2H3,(H2,19,20)(H,21,27)(H,23,29)(H,31,32)/b24-8+/t9-,15-/m1/s1
InChIKey
VAAUVRVFOQPIGI-TYHRLYECSA-N

Computed Properties

Structural Parameters

Heavy atom count
36
Aromatic heavy atom count
11
Fraction Csp3
0.33
Rotatable bonds
8
H-bond acceptors
14
H-bond donors
4
Molar refractivity
130.58
TPSA
214.96

LogP / Solubility

WLOGP
-1.61
MLOGP
-1.38
XLogP3
-1.3
Consensus LogP
-1.43
Log S (ESOL)
-1.96
Class (ESOL)
Soluble
Log S (Ali)
-2.94
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.89
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)
-7.25

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5.5

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