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CAS 26395-99-3 7-Aminodesacetoxycephalosporanic acid molecular structure lightbox
CAS RN: 26395-99-3

7-Aminodesacetoxycephalosporanic acid

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260311 100mg / 250mg / 1g / 5g / 25g Confirm by inquiry Shanghai, Shandong 15 business days Inquiry
  • Product code: starshine_CAS26395-99-3
  • Purity/Analytical Methods: >99.0%
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26395-99-3 / 7-amino-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Standard CAS: 26395-99-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
26395-99-3
Multi CAS
No
Molecular Formula
C8H10N2O3S
Molecular Weight
214.240000
Exact Mass
214.041213
SMILES
CC1=C(N2C(C(C2=O)N)SC1)C(=O)O
InChI
InChI=1S/C8H10N2O3S/c1-3-2-14-7-4(9)6(11)10(7)5(3)8(12)13/h4,7H,2,9H2,1H3,(H,12,13)
InChIKey
NVIAYEIXYQCDAN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Fraction Csp3
0.5
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
2
Molar refractivity
51.4
TPSA
83.63

LogP / Solubility

WLOGP
-0.41
MLOGP
-0.36
XLogP3
-3.1
Consensus LogP
-1.29
Log S (ESOL)
-0.84
Class (ESOL)
Very soluble
Log S (Ali)
-1.02
Class (Ali)
Soluble
Log S (SILICOS-IT)
-0.83
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
Low
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)
-4.32

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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