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CAS 1422023-33-3 Cefoxitin EP Impurity D molecular structure lightbox
CAS RN: 1422023-33-3

Cefoxitin EP Impurity D

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260421 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS1422023-33-3
  • Purity/Analytical Methods: >99.0%
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1422023-33-3 / N-[(4S,5R)-4-methoxy-3,11-dioxo-10-oxa-6-thia-2-azatricyclo[6.3.0.02,5]undec-1(8)-en-4-yl]-2-thiophen-2-ylacetamide

Standard CAS: 1422023-33-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1422023-33-3
Multi CAS
No
Molecular Formula
C15H14N2O5S2
Molecular Weight
366.400000
Exact Mass
366.034414
SMILES
CO[C@@]1([C@@H]2N(C1=O)C3=C(COC3=O)CS2)NC(=O)CC4=CC=CS4
InChI
InChI=1S/C15H14N2O5S2/c1-21-15(16-10(18)5-9-3-2-4-23-9)13(20)17-11-8(6-22-12(11)19)7-24-14(15)17/h2-4,14H,5-7H2,1H3,(H,16,18)/t14-,15+/m1/s1
InChIKey
ZNHLCKJVGCWLCR-CABCVRRESA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
5
Fraction Csp3
0.4
Rotatable bonds
4
H-bond acceptors
7
H-bond donors
1
Molar refractivity
86.98
TPSA
84.94

LogP / Solubility

WLOGP
0.48
MLOGP
0.44
Consensus LogP
0.31
Log S (ESOL)
-2.3
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.91
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.92
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)
-4.62

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4

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