CAS RN: 86329-79-5

Cefodizime sodium

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  • Product code: starshine_CAS86329-79-5
  • Purity/Analytical Methods: >99.0%
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86329-79-5 / disodium;(6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-[[5-(carboxylatomethyl)-4-methyl-1,3-thiazol-2-yl]sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Standard CAS: 86329-79-5 Multi CAS: Yes

Basic Information

CAS
86329-79-5
Multi CAS
Yes
Molecular Formula
C20H18N6NA2O7S4
Molecular Weight
628.600000
Exact Mass
627.991520
InChI
InChI=1S/C20H20N6O7S4.2Na/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);;/q;2*+1/p-2/b25-12-;;/t13-,17-;;/m1../s1
InChIKey
WBOBLQIRACJNPA-AEKYOGSZSA-L

Computed Properties

Structural Parameters

Heavy atom count
39
Aromatic heavy atom count
10
Fraction Csp3
0.35
Rotatable bonds
10
H-bond acceptors
15
H-bond donors
2
Molar refractivity
133.41
TPSA
203.06

LogP / Solubility

WLOGP
-7.66
MLOGP
-6.69
XLogP3
-7.66
Consensus LogP
-7.34
Log S (ESOL)
1.56
Class (ESOL)
Highly soluble
Log S (Ali)
0.82
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
1.41
Class (SILICOS-IT)
Highly 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)
-12

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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