CAS RN: 69739-16-8

Cefodizime

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6 package records6 with current stock2 grade groups
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  • Product code: starshine_CAS69739-16-8
  • Purity/Analytical Methods: >99.0%
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69739-16-8 / 7-[[2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-[[5-(carboxymethyl)-4-methyl-1,3-thiazol-2-yl]sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Standard CAS: 69739-16-8 Multi CAS: Yes

Basic Information

CAS
69739-16-8
Multi CAS
Yes
Molecular Formula
C20H20N6O7S4
Molecular Weight
584.700000
Exact Mass
584.027632
InChI
InChI=1S/C20H20N6O7S4/c1-7-10(3-11(27)28)37-20(22-7)36-5-8-4-34-17-13(16(30)26(17)14(8)18(31)32)24-15(29)12(25-33-2)9-6-35-19(21)23-9/h6,13,17H,3-5H2,1-2H3,(H2,21,23)(H,24,29)(H,27,28)(H,31,32)/b25-12-/t13-,17-/m1/s1
InChIKey
XDZKBRJLTGRPSS-BGZQYGJUSA-N

Computed Properties

Structural Parameters

Heavy atom count
37
Aromatic heavy atom count
10
Fraction Csp3
0.35
Rotatable bonds
10
H-bond acceptors
13
H-bond donors
4
Molar refractivity
138.67
TPSA
197.4

LogP / Solubility

WLOGP
1
MLOGP
0.93
XLogP3
0.2
Consensus LogP
0.71
Log S (ESOL)
-3.63
Class (ESOL)
Poorly soluble
Log S (Ali)
-5.08
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.49
Class (SILICOS-IT)
Slightly 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)
-5.58

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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